[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone

C14H20N2O2 — CID 112537616

IUPAC[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCC(O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-13(17)11-5-8-16(9-6-11)14(18)12-4-3-7-15-10-12/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3
InChIKeyPZFYBPYVTSYNCY-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.70
Rot. Bonds3

About [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone

[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone (PubChem CID 112537616) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone.

Molecular Properties

Compound Name[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
PubChem CID112537616
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone
SMILESCCC(O)C1CCN(C(=O)c2cccnc2)CC1
InChIInChI=1S/C14H20N2O2/c1-2-13(17)11-5-8-16(9-6-11)14(18)12-4-3-7-15-10-12/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3
InChIKeyPZFYBPYVTSYNCY-UHFFFAOYSA-N
XLogP1.70
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone 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 [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The IUPAC name of [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone (CID 112537616) is [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone.
What is the SMILES notation for [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The canonical SMILES for [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone is CCC(O)C1CCN(C(=O)c2cccnc2)CC1.
What is the InChIKey of [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
The InChIKey is PZFYBPYVTSYNCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-13(17)11-5-8-16(9-6-11)14(18)12-4-3-7-15-10-12/h3-4,7,10-11,13,17H,2,5-6,8-9H2,1H3.
What are the key properties of [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone?
[4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone has a molecular weight of 248.33 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-hydroxypropyl)piperidin-1-yl]-pyridin-3-ylmethanone is sourced from PubChem (CID 112537616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).