(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol

C17H23N3O3 — CID 56890360

IUPAC(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cccn2)c(CN2CC[C@H](CO)[C@H](O)C2)c1
InChIInChI=1S/C17H23N3O3/c1-23-15-3-4-16(20-7-2-6-18-20)14(9-15)10-19-8-5-13(12-21)17(22)11-19/h2-4,6-7,9,13,17,21-22H,5,8,10-12H2,1H3/t13-,17-/m1/s1
InChIKeyFNOKAAQZMDVRQH-CXAGYDPISA-N
MW317.39 g/mol
LogP1.06
Rot. Bonds5

About (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol (PubChem CID 56890360) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol
PubChem CID56890360
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol
SMILESCOc1ccc(-n2cccn2)c(CN2CC[C@H](CO)[C@H](O)C2)c1
InChIInChI=1S/C17H23N3O3/c1-23-15-3-4-16(20-7-2-6-18-20)14(9-15)10-19-8-5-13(12-21)17(22)11-19/h2-4,6-7,9,13,17,21-22H,5,8,10-12H2,1H3/t13-,17-/m1/s1
InChIKeyFNOKAAQZMDVRQH-CXAGYDPISA-N
XLogP1.06
TPSA70.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)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

Related Compounds

({1-[2-(4-methoxyphenyl)ethyl]-4-piperidinyl}methyl)methyl[(1-phenyl-1H-pyrazol-4-yl)methyl]amine
CID 26325235
(1S)-1-[(4aR,5S)-1-(4-methoxyphenyl)-4a-methyl-5,6,7,8-tetrahydro-4H-benzo[f]indazol-5-yl]ethanol
CID 164621667
[1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4-(3-methoxybenzyl)piperidin-4-yl]methanol
CID 16188468
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
[3-(3-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 977051
[1-[5-fluoro-2-(1H-pyrazol-1-yl)benzyl]-3-(3-methoxybenzyl)-3-piperidinyl]methanol
CID 16187687
2-(1-cyclopentyl-4-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol
CID 16188266
2-(1-isobutyl-4-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-piperazinyl)ethanol
CID 16189822
1-(1-{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)-1-propanol
CID 16190220
[1-[2,4-dimethyl-6-(1H-pyrazol-1-yl)benzyl]-3-(3-methoxybenzyl)piperidin-3-yl]methanol
CID 16191617
2-[{[3-(3-fluorophenyl)-1-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}(methyl)amino]ethanol
CID 16192378
(4-(4-methoxybenzyl)-1-{[1-(2-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)methanol
CID 16189125

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol (CID 56890360) is (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol is COc1ccc(-n2cccn2)c(CN2CC[C@H](CO)[C@H](O)C2)c1.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol?
The InChIKey is FNOKAAQZMDVRQH-CXAGYDPISA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-15-3-4-16(20-7-2-6-18-20)14(9-15)10-19-8-5-13(12-21)17(22)11-19/h2-4,6-7,9,13,17,21-22H,5,8,10-12H2,1H3/t13-,17-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol has a molecular weight of 317.39 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperidin-3-ol is sourced from PubChem (CID 56890360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).