1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine

C21H26Cl2N2 — CID 155529936

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-20(22)6-3-7-21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3
InChIKeyUZICESNXKZSHPK-UHFFFAOYSA-N
MW377.36 g/mol
LogP5.30
Rot. Bonds6

About 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine

1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine (PubChem CID 155529936) has the molecular formula C21H26Cl2N2 and a molecular weight of 377.36 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
PubChem CID155529936
Molecular FormulaC21H26Cl2N2
Molecular Weight377.36 g/mol
Exact Mass376.15
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine
SMILESCc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1
InChIInChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-20(22)6-3-7-21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3
InChIKeyUZICESNXKZSHPK-UHFFFAOYSA-N
XLogP5.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.36
LogP ≤ 55.30
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
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
N,N'-(Cyclohexane-1,4-diylbis(methylene))bis(1-(2-chlorophenyl)methanamine)
CID 9705
1-(2-(2-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414719
1-(2-(3-Chlorophenyl)-1-phenylethyl)piperazine
CID 44414720
N-(2-chlorobenzyl)-1-phenylpropan-2-amine hydrochloride
CID 160796
1-((2-Chlorophenyl)methyl)piperazine
CID 580769
1-benzyl-N-[(4-chlorophenyl)methyl]piperidin-4-amine
CID 784405

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine (CID 155529936) is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine is Cc1cccc(CNCC2CCN(Cc3c(Cl)cccc3Cl)CC2)c1.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
The InChIKey is UZICESNXKZSHPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26Cl2N2/c1-16-4-2-5-18(12-16)14-24-13-17-8-10-25(11-9-17)15-19-20(22)6-3-7-21(19)23/h2-7,12,17,24H,8-11,13-15H2,1H3.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine?
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine has a molecular weight of 377.36 g/mol, XLogP of 5.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-N-[(3-methylphenyl)methyl]methanamine is sourced from PubChem (CID 155529936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).