4-[(3-phenylphenyl)methyl]piperidin-4-amine

C18H22N2 — CID 67531778

IUPAC4-[(3-phenylphenyl)methyl]piperidin-4-amine
SMILESNC1(Cc2cccc(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C18H22N2/c19-18(9-11-20-12-10-18)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13,20H,9-12,14,19H2
InChIKeyVUBLDSYWLFEJAK-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.98
Rot. Bonds3

About 4-[(3-phenylphenyl)methyl]piperidin-4-amine

4-[(3-phenylphenyl)methyl]piperidin-4-amine (PubChem CID 67531778) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is 4-[(3-phenylphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name4-[(3-phenylphenyl)methyl]piperidin-4-amine
PubChem CID67531778
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC Name4-[(3-phenylphenyl)methyl]piperidin-4-amine
SMILESNC1(Cc2cccc(-c3ccccc3)c2)CCNCC1
InChIInChI=1S/C18H22N2/c19-18(9-11-20-12-10-18)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13,20H,9-12,14,19H2
InChIKeyVUBLDSYWLFEJAK-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-phenylphenyl)methyl]piperidin-4-amine?
The IUPAC name of 4-[(3-phenylphenyl)methyl]piperidin-4-amine (CID 67531778) is 4-[(3-phenylphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for 4-[(3-phenylphenyl)methyl]piperidin-4-amine?
The canonical SMILES for 4-[(3-phenylphenyl)methyl]piperidin-4-amine is NC1(Cc2cccc(-c3ccccc3)c2)CCNCC1.
What is the InChIKey of 4-[(3-phenylphenyl)methyl]piperidin-4-amine?
The InChIKey is VUBLDSYWLFEJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c19-18(9-11-20-12-10-18)14-15-5-4-8-17(13-15)16-6-2-1-3-7-16/h1-8,13,20H,9-12,14,19H2.
What are the key properties of 4-[(3-phenylphenyl)methyl]piperidin-4-amine?
4-[(3-phenylphenyl)methyl]piperidin-4-amine has a molecular weight of 266.39 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-phenylphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 67531778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).