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Chemical ID: 3966965

c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO

Chemical ID:

3966965

Name [?]:

2-[2-[4-[(4-chlorophenyl)-phenyl-methyl]piperazin-1-yl]ethoxy]ethanol

SMILES [?]:

c1ccc(cc1)C(c2ccc(cc2)Cl)N3CCN(CC3)CCOCCO

InChi [?]:

InChI=1/C21H27ClN2O2/c22-20-8-6-19(7-9-20)21(18-4-2-1-3-5-18)24-12-10-23(11-13-24)14-16-26-17-15-25/h1-9,21,25H,10-17H2

InChi Info:

AuxInfo=1/0/N:1,2,6,3,5,9,13,10,12,17,19,16,20,21,25,22,24,4,8,11,7,14,18,15,26,23/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:26cCCCCCCCCCCCCCClNCCNCCCCOCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s11;s7;s15;s16;s17;s18;s15s19;s18;s21;s22;s23;s24;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₇ClN₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	1

ZAP Information [?]

Total:	9.78949
Area:	612.423
Solvation:	-5.52109
Coulombic:	-36.5471

Bond Count [?]

All:	28
Single:	22
Double:	6
Rotors:	8
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	374.904
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	2.71
LogP (Chemaxon):	3.49

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value