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

C17H22N2O — CID 22248201

IUPAC4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol
SMILESCc1ccc(-c2ccccc2)n1CC1(O)CCNCC1
InChIInChI=1S/C17H22N2O/c1-14-7-8-16(15-5-3-2-4-6-15)19(14)13-17(20)9-11-18-12-10-17/h2-8,18,20H,9-13H2,1H3
InChIKeyZGLRBCJMSUYVFA-UHFFFAOYSA-N
MW270.38 g/mol
LogP2.58
Rot. Bonds3

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

4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol (PubChem CID 22248201) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol
PubChem CID22248201
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol
SMILESCc1ccc(-c2ccccc2)n1CC1(O)CCNCC1
InChIInChI=1S/C17H22N2O/c1-14-7-8-16(15-5-3-2-4-6-15)19(14)13-17(20)9-11-18-12-10-17/h2-8,18,20H,9-13H2,1H3
InChIKeyZGLRBCJMSUYVFA-UHFFFAOYSA-N
XLogP2.58
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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]piperidin-4-ol?
The IUPAC name of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol (CID 22248201) is 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol.
What is the SMILES notation for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol?
The canonical SMILES for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol is Cc1ccc(-c2ccccc2)n1CC1(O)CCNCC1.
What is the InChIKey of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol?
The InChIKey is ZGLRBCJMSUYVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-14-7-8-16(15-5-3-2-4-6-15)19(14)13-17(20)9-11-18-12-10-17/h2-8,18,20H,9-13H2,1H3.
What are the key properties of 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol?
4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol has a molecular weight of 270.38 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-5-phenylpyrrol-1-yl)methyl]piperidin-4-ol is sourced from PubChem (CID 22248201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).