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

C24H27N3 — CID 21352397

IUPACN-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H27N3/c1-19-7-9-22(10-8-19)27(23-12-14-25-15-13-23)18-20-11-16-26-24(17-20)21-5-3-2-4-6-21/h2-11,16-17,23,25H,12-15,18H2,1H3
InChIKeyMZEFHJUUVUESIY-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.82
Rot. Bonds5

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

N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine (PubChem CID 21352397) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
PubChem CID21352397
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC NameN-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine
SMILESCc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCNCC2)cc1
InChIInChI=1S/C24H27N3/c1-19-7-9-22(10-8-19)27(23-12-14-25-15-13-23)18-20-11-16-26-24(17-20)21-5-3-2-4-6-21/h2-11,16-17,23,25H,12-15,18H2,1H3
InChIKeyMZEFHJUUVUESIY-UHFFFAOYSA-N
XLogP4.82
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The IUPAC name of N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine (CID 21352397) is N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine is Cc1ccc(N(Cc2ccnc(-c3ccccc3)c2)C2CCNCC2)cc1.
What is the InChIKey of N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
The InChIKey is MZEFHJUUVUESIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-19-7-9-22(10-8-19)27(23-12-14-25-15-13-23)18-20-11-16-26-24(17-20)21-5-3-2-4-6-21/h2-11,16-17,23,25H,12-15,18H2,1H3.
What are the key properties of N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine?
N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine has a molecular weight of 357.50 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-N-[(2-phenyl-4-pyridinyl)methyl]piperidin-4-amine is sourced from PubChem (CID 21352397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).