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Chemical ID: 5829935

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cc(ccc3O)Cl

Chemical ID:

5829935

Name [?]:

1-[(5-chloro-2-hydroxy-phenyl)methyl]-N-(p-tolylmethyl)piperidine-4-carboxamide

SMILES [?]:

Cc1ccc(cc1)CNC(=O)C2CCN(CC2)Cc3cc(ccc3O)Cl

InChi [?]:

InChI=1/C21H25ClN2O2/c1-15-2-4-16(5-3-15)13-23-21(26)17-8-10-24(11-9-17)14-18-12-19(22)6-7-20(18)25/h2-7,12,17,25H,8-11,13-14H2,1H3,(H,23,26)

InChi Info:

AuxInfo=1/1/N:1,3,7,4,6,22,23,13,17,14,16,20,8,18,2,5,12,19,21,24,10,26,9,15,25,11/E:(2,3)(4,5)(8,9)(10,11)/rA:26nCCCCCCCCNCOCCCNCCCCCCCCCOCl/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s10;s12;s13;s14;s15;s12s16;s15;s18;s19;d20;s21;d22;d19s23;s24;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₂₅ClN₂O₂
All Atoms:	26
Heavy Atoms:	26
Chiral Atoms:	0

ZAP Information [?]

Total:	11.8684
Area:	611.531
Solvation:	-3.41986
Coulombic:	-43.6572

Bond Count [?]

All:	28
Single:	21
Double:	7
Rotors:	6
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	372.888
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.84
LogP (Chemaxon):	3.84

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

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Chemical Mix	Source	External ID	Descriptor	Value