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Chemical ID: 6496555

Chemical ID:

6496555

Name [?]:

N-(3-chlorophenyl)-2-(2-hydroxyethyl)piperidine-1-carboxamide

SMILES [?]:

c1cc(cc(c1)Cl)NC(=O)N2CCCCC2CCO

InChi [?]:

InChI=1/C14H19ClN2O2/c15-11-4-3-5-12(10-11)16-14(19)17-8-2-1-6-13(17)7-9-18/h3-5,10,13,18H,1-2,6-9H2,(H,16,19)

InChi Info:

AuxInfo=1/1/N:14,13,1,6,2,15,17,12,18,4,5,3,16,9,7,8,11,19,10/rA:19cCCCCCCClNCONCCCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s3;s8;d9;s9;s11;s12;s13;s14;s11s15;s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₄H₁₉ClN₂O₂
All Atoms:	19
Heavy Atoms:	19
Chiral Atoms:	1

ZAP Information [?]

Total:	8.64866
Area:	469.162
Solvation:	-3.08039
Coulombic:	-47.5615

Bond Count [?]

All:	20
Single:	16
Double:	4
Rotors:	5
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	282.766
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	2.23
LogP (Chemaxon):	2.51

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