4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine

C22H24N2 — CID 10495652

IUPAC4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine
SMILESc1ccc(C2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2
InChIKeyUTWBPURYALKZBN-UHFFFAOYSA-N
MW316.45 g/mol
LogP4.86
Rot. Bonds4

About 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine

4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine (PubChem CID 10495652) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine.

Molecular Properties

Compound Name4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine
PubChem CID10495652
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine
SMILESc1ccc(C2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1
InChIInChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2
InChIKeyUTWBPURYALKZBN-UHFFFAOYSA-N
XLogP4.86
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine?
The IUPAC name of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine (CID 10495652) is 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine.
What is the SMILES notation for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine?
The canonical SMILES for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine is c1ccc(C2CCN(Cc3ccn(-c4ccccc4)c3)CC2)cc1.
What is the InChIKey of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine?
The InChIKey is UTWBPURYALKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-3-7-20(8-4-1)21-12-14-23(15-13-21)17-19-11-16-24(18-19)22-9-5-2-6-10-22/h1-11,16,18,21H,12-15,17H2.
What are the key properties of 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine?
4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine has a molecular weight of 316.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[(1-phenylpyrrol-3-yl)methyl]piperidine is sourced from PubChem (CID 10495652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).