N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine

C36H34Cl2N4 — CID 21352369

IUPACN,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccc(Cl)cc3)c2)C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C36H34Cl2N4/c1-26-2-12-33(13-3-26)42(25-28-15-19-40-36(23-28)30-6-10-32(38)11-7-30)34-16-20-41(21-17-34)24-27-14-18-39-35(22-27)29-4-8-31(37)9-5-29/h2-15,18-19,22-23,34H,16-17,20-21,24-25H2,1H3
InChIKeyIJBKNCXFLAPKJX-UHFFFAOYSA-N
MW593.60 g/mol
LogP9.10
Rot. Bonds8

About N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine

N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine (PubChem CID 21352369) has the molecular formula C36H34Cl2N4 and a molecular weight of 593.60 g/mol. Its IUPAC name is N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine.

Molecular Properties

Compound NameN,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
PubChem CID21352369
Molecular FormulaC36H34Cl2N4
Molecular Weight593.60 g/mol
Exact Mass592.22
IUPAC NameN,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccc(Cl)cc3)c2)C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1
InChIInChI=1S/C36H34Cl2N4/c1-26-2-12-33(13-3-26)42(25-28-15-19-40-36(23-28)30-6-10-32(38)11-7-30)34-16-20-41(21-17-34)24-27-14-18-39-35(22-27)29-4-8-31(37)9-5-29/h2-15,18-19,22-23,34H,16-17,20-21,24-25H2,1H3
InChIKeyIJBKNCXFLAPKJX-UHFFFAOYSA-N
XLogP9.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500593.60
LogP ≤ 59.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352374
N,1-bis[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352363
N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352365
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441
N-(4-chlorophenyl)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 160932241
N-[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 162040484
N-(4-chlorophenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352445
N-(4-chlorophenyl)-N-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174152
1-[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;trihydrochloride
CID 161333422
N-(4-methylphenyl)-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]-1-[[5-(3,4,5-trimethylphenyl)-3-pyridinyl]methyl]piperidin-4-amine
CID 21352563
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
N-(3-methylphenyl)-N-[[4-(3,4,5-trimethylphenyl)phenyl]methyl]-1-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine;dihydrochloride
CID 162051714

Frequently Asked Questions

What is the IUPAC name of N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The IUPAC name of N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine (CID 21352369) is N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine.
What is the SMILES notation for N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The canonical SMILES for N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine is Cc1ccc(N(Cc2ccnc(-c3ccc(Cl)cc3)c2)C2CCN(Cc3ccnc(-c4ccc(Cl)cc4)c3)CC2)cc1.
What is the InChIKey of N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
The InChIKey is IJBKNCXFLAPKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34Cl2N4/c1-26-2-12-33(13-3-26)42(25-28-15-19-40-36(23-28)30-6-10-32(38)11-7-30)34-16-20-41(21-17-34)24-27-14-18-39-35(22-27)29-4-8-31(37)9-5-29/h2-15,18-19,22-23,34H,16-17,20-21,24-25H2,1H3.
What are the key properties of N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine?
N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine has a molecular weight of 593.60 g/mol, XLogP of 9.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine is sourced from PubChem (CID 21352369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).