1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol

C19H27N3O2 — CID 56780673

IUPAC1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cnn(CC2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-9-21(10-8-17)14-18(23)15-24-19-5-3-2-4-6-19/h2-6,11-12,17-18,23H,7-10,13-15H2,1H3
InChIKeyLOPIYNYGFMOINT-UHFFFAOYSA-N
MW329.44 g/mol
LogP2.34
Rot. Bonds7

About 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol

1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol (PubChem CID 56780673) has the molecular formula C19H27N3O2 and a molecular weight of 329.44 g/mol. Its IUPAC name is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol.

Molecular Properties

Compound Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
PubChem CID56780673
Molecular FormulaC19H27N3O2
Molecular Weight329.44 g/mol
Exact Mass329.21
IUPAC Name1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol
SMILESCc1cnn(CC2CCN(CC(O)COc3ccccc3)CC2)c1
InChIInChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-9-21(10-8-17)14-18(23)15-24-19-5-3-2-4-6-19/h2-6,11-12,17-18,23H,7-10,13-15H2,1H3
InChIKeyLOPIYNYGFMOINT-UHFFFAOYSA-N
XLogP2.34
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.44
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol 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-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The IUPAC name of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol (CID 56780673) is 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol.
What is the SMILES notation for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The canonical SMILES for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol is Cc1cnn(CC2CCN(CC(O)COc3ccccc3)CC2)c1.
What is the InChIKey of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
The InChIKey is LOPIYNYGFMOINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O2/c1-16-11-20-22(12-16)13-17-7-9-21(10-8-17)14-18(23)15-24-19-5-3-2-4-6-19/h2-6,11-12,17-18,23H,7-10,13-15H2,1H3.
What are the key properties of 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol?
1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol has a molecular weight of 329.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-3-phenoxypropan-2-ol is sourced from PubChem (CID 56780673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).