1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine

C21H27ClN2 — CID 155527692

IUPAC1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H27ClN2/c1-17-3-2-4-20(13-17)15-23-14-18-9-11-24(12-10-18)16-19-5-7-21(22)8-6-19/h2-8,13,18,23H,9-12,14-16H2,1H3
InChIKeyDQJUWAOAIZYJEI-UHFFFAOYSA-N
MW342.91 g/mol
LogP4.65
Rot. Bonds6

About 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine

1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 155527692) has the molecular formula C21H27ClN2 and a molecular weight of 342.91 g/mol. Its IUPAC name is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
PubChem CID155527692
Molecular FormulaC21H27ClN2
Molecular Weight342.91 g/mol
Exact Mass342.19
IUPAC Name1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1
InChIInChI=1S/C21H27ClN2/c1-17-3-2-4-20(13-17)15-23-14-18-9-11-24(12-10-18)16-19-5-7-21(22)8-6-19/h2-8,13,18,23H,9-12,14-16H2,1H3
InChIKeyDQJUWAOAIZYJEI-UHFFFAOYSA-N
XLogP4.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.91
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Chlorcyclizine
CID 2710
Meclizine
CID 4034
Chlorcyclizine Hydrochloride
CID 62413
Norchlorcyclizine
CID 9340
Meclozine Dihydrochloride
CID 64713
Meclizine Monohydrochloride
CID 92303
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
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine (CID 155527692) is 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCC2CCN(Cc3ccc(Cl)cc3)CC2)c1.
What is the InChIKey of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is DQJUWAOAIZYJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN2/c1-17-3-2-4-20(13-17)15-23-14-18-9-11-24(12-10-18)16-19-5-7-21(22)8-6-19/h2-8,13,18,23H,9-12,14-16H2,1H3.
What are the key properties of 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 342.91 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 155527692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).