4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine

C17H22N2 — CID 22248364

IUPAC4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
SMILESCc1ccc(-c2ccccc2)n1CC1CCNCC1
InChIInChI=1S/C17H22N2/c1-14-7-8-17(16-5-3-2-4-6-16)19(14)13-15-9-11-18-12-10-15/h2-8,15,18H,9-13H2,1H3
InChIKeyFVBKPTNHHILUPP-UHFFFAOYSA-N
MW254.38 g/mol
LogP3.46
Rot. Bonds3

About 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine

4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine (PubChem CID 22248364) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine.

Molecular Properties

Compound Name4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
PubChem CID22248364
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine
SMILESCc1ccc(-c2ccccc2)n1CC1CCNCC1
InChIInChI=1S/C17H22N2/c1-14-7-8-17(16-5-3-2-4-6-16)19(14)13-15-9-11-18-12-10-15/h2-8,15,18H,9-13H2,1H3
InChIKeyFVBKPTNHHILUPP-UHFFFAOYSA-N
XLogP3.46
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine?
The IUPAC name of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine (CID 22248364) is 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine.
What is the SMILES notation for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine?
The canonical SMILES for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine is Cc1ccc(-c2ccccc2)n1CC1CCNCC1.
What is the InChIKey of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine?
The InChIKey is FVBKPTNHHILUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2/c1-14-7-8-17(16-5-3-2-4-6-16)19(14)13-15-9-11-18-12-10-15/h2-8,15,18H,9-13H2,1H3.
What are the key properties of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine?
4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine has a molecular weight of 254.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidine is sourced from PubChem (CID 22248364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).