N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine

C20H31ClN2 — CID 155561098

IUPACN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine
SMILESClc1ccccc1CN1CCC(CNCC2CCCCC2)CC1
InChIInChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2
InChIKeyNOIVROLBMGUARR-UHFFFAOYSA-N
MW334.93 g/mol
LogP4.72
Rot. Bonds6

About N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine

N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine (PubChem CID 155561098) has the molecular formula C20H31ClN2 and a molecular weight of 334.93 g/mol. Its IUPAC name is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine.

Molecular Properties

Compound NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine
PubChem CID155561098
Molecular FormulaC20H31ClN2
Molecular Weight334.93 g/mol
Exact Mass334.22
IUPAC NameN-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine
SMILESClc1ccccc1CN1CCC(CNCC2CCCCC2)CC1
InChIInChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2
InChIKeyNOIVROLBMGUARR-UHFFFAOYSA-N
XLogP4.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.93
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Norchlorcyclizine
CID 9340
Clobenzorex
CID 735998
N-[(2-chlorophenyl)methyl]-1-phenylpropan-2-amine
CID 71675
1-(3-Chlorobenzyl)piperazine
CID 764727
Piperazine, 1-[(4-chlorophenyl)methyl]-, hydrochloride (1:1)
CID 20437422
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)--hydrogen chloride (1/2)
CID 9704
1-[Bis(4-chlorophenyl)methyl]piperazine
CID 285510
Norchlorcyclizine, (-)-
CID 668697
4-Chloro-N-pentylbenzenemethanamine
CID 2466110
Benzenemethanamine, 2-chloro-N-methyl-
CID 66754
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine?
The IUPAC name of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine (CID 155561098) is N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine.
What is the SMILES notation for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine?
The canonical SMILES for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine is Clc1ccccc1CN1CCC(CNCC2CCCCC2)CC1.
What is the InChIKey of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine?
The InChIKey is NOIVROLBMGUARR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31ClN2/c21-20-9-5-4-8-19(20)16-23-12-10-18(11-13-23)15-22-14-17-6-2-1-3-7-17/h4-5,8-9,17-18,22H,1-3,6-7,10-16H2.
What are the key properties of N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine?
N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine has a molecular weight of 334.93 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methyl]-1-cyclohexylmethanamine is sourced from PubChem (CID 155561098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).