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

C36H36N4 — CID 21352374

IUPACN-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCN(Cc3ccnc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C36H36N4/c1-28-12-14-33(15-13-28)40(27-30-17-21-38-36(25-30)32-10-6-3-7-11-32)34-18-22-39(23-19-34)26-29-16-20-37-35(24-29)31-8-4-2-5-9-31/h2-17,20-21,24-25,34H,18-19,22-23,26-27H2,1H3
InChIKeyQROIRNLEVULPMF-UHFFFAOYSA-N
MW524.71 g/mol
LogP7.79
Rot. Bonds8

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

N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine (PubChem CID 21352374) has the molecular formula C36H36N4 and a molecular weight of 524.71 g/mol. Its IUPAC name is N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
PubChem CID21352374
Molecular FormulaC36H36N4
Molecular Weight524.71 g/mol
Exact Mass524.29
IUPAC NameN-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCN(Cc3ccnc(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C36H36N4/c1-28-12-14-33(15-13-28)40(27-30-17-21-38-36(25-30)32-10-6-3-7-11-32)34-18-22-39(23-19-34)26-29-16-20-37-35(24-29)31-8-4-2-5-9-31/h2-17,20-21,24-25,34H,18-19,22-23,26-27H2,1H3
InChIKeyQROIRNLEVULPMF-UHFFFAOYSA-N
XLogP7.79
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.71
LogP ≤ 57.79
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,1-bis[[2-(4-chlorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352369
N,1-bis[[2-(3-fluorophenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352365
N,1-bis[[2-(3,4-dimethylphenyl)-4-pyridinyl]methyl]-N-(4-methylphenyl)piperidin-4-amine
CID 21352363
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
CID 21352397
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-[[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)-1-[[3-(3,4,5-trimethylphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethylphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 21352441
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-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-(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
N-(4-methoxyphenyl)-1-[[3-(3,4,5-trimethoxyphenyl)phenyl]methyl]-N-[[2-(3,4,5-trimethoxyphenyl)-4-pyridinyl]methyl]piperidin-4-amine
CID 18174095
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

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine (CID 21352374) is N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine is Cc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCN(Cc3ccnc(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is QROIRNLEVULPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H36N4/c1-28-12-14-33(15-13-28)40(27-30-17-21-38-36(25-30)32-10-6-3-7-11-32)34-18-22-39(23-19-34)26-29-16-20-37-35(24-29)31-8-4-2-5-9-31/h2-17,20-21,24-25,34H,18-19,22-23,26-27H2,1H3.
What are the key properties of N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 524.71 g/mol, XLogP of 7.79, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N,1-bis[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 21352374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).