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Chemical ID: 7971703

C[C@@H]1CC[N@](CC1)[C@H](CN)c2ccc(cc2)Cl

Chemical ID:

7971703

Name [?]:

2-(4-chlorophenyl)-2-(4-methyl-1-piperidyl)-ethanamine

SMILES [?]:

C[C@@H]1CC[N@](CC1)[C@H](CN)c2ccc(cc2)Cl

InChi [?]:

InChI=1/C14H21ClN2/c1-11-6-8-17(9-7-11)14(10-16)12-2-4-13(15)5-3-12/h2-5,11,14H,6-10,16H2,1H3/t14-/m1/s1

InChi Info:

AuxInfo=1/0/N:1,12,16,13,15,3,7,4,6,9,2,11,14,8,17,10,5/E:(2,3)(4,5)(6,7)(8,9)/it:im/rA:17cCCCCNCCCCNCCCCCCCl/rB:s1;s2;s3;s4;s5;s2s6;s5;s8;s9;s8;s11;d12;s13;d14;d11s15;s14;/rC:.4589,1.5295,.4106;.3839,.0044,.3138;-1.0782,-.4292,.1699;-1.1542,-1.9571,.1887;-.6471,-2.4634,1.4685;.7816,-2.1374,1.5318;.9642,-.6194,1.5869;-.7438,-3.9281,1.4112;-2.2066,-4.3491,1.5657;-2.9786,-3.8699,.4115;.0725,-4.5294,2.5262;-.0713,-4.0601,3.8185;.677,-4.6112,4.8415;1.5702,-5.6328,4.5719;1.7138,-6.1021,3.2784;.9607,-5.554,2.2572;2.511,-6.3251,5.8563;

Chemical Details

Atom Count

Formula:	C₁₄H₂₁ClN₂
All Atoms:	38
Heavy Atoms:	17
Chiral Atoms:	1

ZAP Information [?]

Total:	9.74099
Area:	437.197
Solvation:	-1.18894
Coulombic:	-19.8459

Bond Count [?]

All:	39
Single:	36
Double:	3
Rotors:	3
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	252.783
H-Bond Donors:	2
H-Bond Acceptors:	2
XLogP:	3.09
LogP (Chemaxon):	2.78

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value