(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol

C20H26FN3O — CID 72910665

IUPAC(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C20H26FN3O/c1-14-12-24(9-8-20(14,25)17-5-3-6-17)13-16-11-22-23-19(16)15-4-2-7-18(21)10-15/h2,4,7,10-11,14,17,25H,3,5-6,8-9,12-13H2,1H3,(H,22,23)/t14-,20+/m1/s1
InChIKeyQEQQGXXUAQBMDA-VLIAUNLRSA-N
MW343.45 g/mol
LogP3.59
Rot. Bonds4

About (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol

(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol (PubChem CID 72910665) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
PubChem CID72910665
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol
SMILESC[C@@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CC[C@@]1(O)C1CCC1
InChIInChI=1S/C20H26FN3O/c1-14-12-24(9-8-20(14,25)17-5-3-6-17)13-16-11-22-23-19(16)15-4-2-7-18(21)10-15/h2,4,7,10-11,14,17,25H,3,5-6,8-9,12-13H2,1H3,(H,22,23)/t14-,20+/m1/s1
InChIKeyQEQQGXXUAQBMDA-VLIAUNLRSA-N
XLogP3.59
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(2S)-1-cyclopentyl-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-2-yl]ethanol
CID 28735204
(3R,4R)-4-cyclopropyl-1-[(5-fluoro-2-methoxyphenyl)methyl]-3-methylpiperidin-4-ol
CID 70717089
1-(1-bicyclo[1.1.1]pentanyl)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazine
CID 166300747
2-[4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperazin-1-yl]acetic acid
CID 135113599
(6R,11S)-8-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-11-hydroxy-2,8-diazaspiro[5.5]undecan-1-one
CID 163314770
2-[(2S)-4-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-1-(thiophen-3-ylmethyl)piperazin-2-yl]ethanol
CID 28958065
3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-3-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 45198658
2-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]-2-methoxyacetic acid
CID 166289525
(3aR,6S,7aS)-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3a,6-dimethoxy-3,4,5,6,7,7a-hexahydro-2H-indole
CID 118776075
(3R,4R)-1-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-4-(oxan-4-yl)piperidin-4-ol
CID 72861837
4-ethyl-5-(3-fluorophenyl)-1H-pyrazole
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3-[1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-2-yl]pyridine
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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol (CID 72910665) is (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol is C[C@@H]1CN(Cc2cn[nH]c2-c2cccc(F)c2)CC[C@@]1(O)C1CCC1.
What is the InChIKey of (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol?
The InChIKey is QEQQGXXUAQBMDA-VLIAUNLRSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-14-12-24(9-8-20(14,25)17-5-3-6-17)13-16-11-22-23-19(16)15-4-2-7-18(21)10-15/h2,4,7,10-11,14,17,25H,3,5-6,8-9,12-13H2,1H3,(H,22,23)/t14-,20+/m1/s1.
What are the key properties of (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol?
(3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol has a molecular weight of 343.45 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-cyclobutyl-1-[[5-(3-fluorophenyl)-1H-pyrazol-4-yl]methyl]-3-methylpiperidin-4-ol is sourced from PubChem (CID 72910665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).