3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol

C16H18N2O — CID 15293226

IUPAC3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
SMILESOc1cccc(C2CCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2
InChIKeyROPFUSPHCUQSOQ-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.12
Rot. Bonds3

About 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol

3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol (PubChem CID 15293226) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol.

Molecular Properties

Compound Name3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
PubChem CID15293226
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol
SMILESOc1cccc(C2CCCN2Cc2ccncc2)c1
InChIInChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2
InChIKeyROPFUSPHCUQSOQ-UHFFFAOYSA-N
XLogP3.12
TPSA36.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The IUPAC name of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol (CID 15293226) is 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol.
What is the SMILES notation for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The canonical SMILES for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol is Oc1cccc(C2CCCN2Cc2ccncc2)c1.
What is the InChIKey of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
The InChIKey is ROPFUSPHCUQSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c19-15-4-1-3-14(11-15)16-5-2-10-18(16)12-13-6-8-17-9-7-13/h1,3-4,6-9,11,16,19H,2,5,10,12H2.
What are the key properties of 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol?
3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol has a molecular weight of 254.33 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(pyridin-4-ylmethyl)pyrrolidin-2-yl]phenol is sourced from PubChem (CID 15293226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).