(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

C17H23N3O2 — CID 56894067

IUPAC(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCc1cccc(-n2cc(CN3CC[C@H](CO)[C@@H](O)C3)cn2)c1
InChIInChI=1S/C17H23N3O2/c1-13-3-2-4-16(7-13)20-10-14(8-18-20)9-19-6-5-15(12-21)17(22)11-19/h2-4,7-8,10,15,17,21-22H,5-6,9,11-12H2,1H3/t15-,17+/m1/s1
InChIKeyGHNHKTLHZJDIIE-WBVHZDCISA-N
MW301.39 g/mol
LogP1.36
Rot. Bonds4

About (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol

(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (PubChem CID 56894067) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
PubChem CID56894067
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol
SMILESCc1cccc(-n2cc(CN3CC[C@H](CO)[C@@H](O)C3)cn2)c1
InChIInChI=1S/C17H23N3O2/c1-13-3-2-4-16(7-13)20-10-14(8-18-20)9-19-6-5-15(12-21)17(22)11-19/h2-4,7-8,10,15,17,21-22H,5-6,9,11-12H2,1H3/t15-,17+/m1/s1
InChIKeyGHNHKTLHZJDIIE-WBVHZDCISA-N
XLogP1.36
TPSA61.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-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 (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol (CID 56894067) is (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is Cc1cccc(-n2cc(CN3CC[C@H](CO)[C@@H](O)C3)cn2)c1.
What is the InChIKey of (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
The InChIKey is GHNHKTLHZJDIIE-WBVHZDCISA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-3-2-4-16(7-13)20-10-14(8-18-20)9-19-6-5-15(12-21)17(22)11-19/h2-4,7-8,10,15,17,21-22H,5-6,9,11-12H2,1H3/t15-,17+/m1/s1.
What are the key properties of (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol?
(3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol has a molecular weight of 301.39 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(hydroxymethyl)-1-[[1-(3-methylphenyl)pyrazol-4-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 56894067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).