[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol

C15H27N3O — CID 70769190

IUPAC[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3O/c1-3-6-15(13-19)7-4-8-18(12-15)9-5-14-10-16-17(2)11-14/h10-11,19H,3-9,12-13H2,1-2H3
InChIKeyYTZIYOMUBGYWTM-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.84
Rot. Bonds6

About [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol

[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol (PubChem CID 70769190) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol
PubChem CID70769190
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol
SMILESCCCC1(CO)CCCN(CCc2cnn(C)c2)C1
InChIInChI=1S/C15H27N3O/c1-3-6-15(13-19)7-4-8-18(12-15)9-5-14-10-16-17(2)11-14/h10-11,19H,3-9,12-13H2,1-2H3
InChIKeyYTZIYOMUBGYWTM-UHFFFAOYSA-N
XLogP1.84
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol 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 [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol?
The IUPAC name of [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol (CID 70769190) is [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol?
The canonical SMILES for [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol is CCCC1(CO)CCCN(CCc2cnn(C)c2)C1.
What is the InChIKey of [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol?
The InChIKey is YTZIYOMUBGYWTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-6-15(13-19)7-4-8-18(12-15)9-5-14-10-16-17(2)11-14/h10-11,19H,3-9,12-13H2,1-2H3.
What are the key properties of [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol?
[1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol has a molecular weight of 265.40 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylpiperidin-3-yl]methanol is sourced from PubChem (CID 70769190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).