4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine

C22H24N2 — CID 70281320

IUPAC4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine
SMILESCc1[nH]ccc1C1CCNC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H24N2/c1-16-21(12-14-23-16)20-11-13-24-22(15-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,12,14,20,22-24H,11,13,15H2,1H3
InChIKeySNXGTWZNWYRAGR-UHFFFAOYSA-N
MW316.45 g/mol
LogP5.20
Rot. Bonds3

About 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine

4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine (PubChem CID 70281320) has the molecular formula C22H24N2 and a molecular weight of 316.45 g/mol. Its IUPAC name is 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine.

Molecular Properties

Compound Name4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine
PubChem CID70281320
Molecular FormulaC22H24N2
Molecular Weight316.45 g/mol
Exact Mass316.19
IUPAC Name4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine
SMILESCc1[nH]ccc1C1CCNC(c2ccc(-c3ccccc3)cc2)C1
InChIInChI=1S/C22H24N2/c1-16-21(12-14-23-16)20-11-13-24-22(15-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,12,14,20,22-24H,11,13,15H2,1H3
InChIKeySNXGTWZNWYRAGR-UHFFFAOYSA-N
XLogP5.20
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine?
The IUPAC name of 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine (CID 70281320) is 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine.
What is the SMILES notation for 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine?
The canonical SMILES for 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine is Cc1[nH]ccc1C1CCNC(c2ccc(-c3ccccc3)cc2)C1.
What is the InChIKey of 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine?
The InChIKey is SNXGTWZNWYRAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2/c1-16-21(12-14-23-16)20-11-13-24-22(15-20)19-9-7-18(8-10-19)17-5-3-2-4-6-17/h2-10,12,14,20,22-24H,11,13,15H2,1H3.
What are the key properties of 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine?
4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine has a molecular weight of 316.45 g/mol, XLogP of 5.20, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1H-pyrrol-3-yl)-2-(4-phenylphenyl)piperidine is sourced from PubChem (CID 70281320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).