[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol

C18H25FN4O — CID 91915686

IUPAC[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC[C@@H]1CO
InChIInChI=1S/C18H25FN4O/c1-22(2)17-11-23(8-7-14(17)12-24)10-15-9-20-21-18(15)13-3-5-16(19)6-4-13/h3-6,9,14,17,24H,7-8,10-12H2,1-2H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyJRTMRXARVIFODX-RHSMWYFYSA-N
MW332.42 g/mol
LogP1.96
Rot. Bonds5

About [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol

[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol (PubChem CID 91915686) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
PubChem CID91915686
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC[C@@H]1CO
InChIInChI=1S/C18H25FN4O/c1-22(2)17-11-23(8-7-14(17)12-24)10-15-9-20-21-18(15)13-3-5-16(19)6-4-13/h3-6,9,14,17,24H,7-8,10-12H2,1-2H3,(H,20,21)/t14-,17-/m1/s1
InChIKeyJRTMRXARVIFODX-RHSMWYFYSA-N
XLogP1.96
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-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 [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol (CID 91915686) is [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol is CN(C)[C@@H]1CN(Cc2cn[nH]c2-c2ccc(F)cc2)CC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol?
The InChIKey is JRTMRXARVIFODX-RHSMWYFYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-22(2)17-11-23(8-7-14(17)12-24)10-15-9-20-21-18(15)13-3-5-16(19)6-4-13/h3-6,9,14,17,24H,7-8,10-12H2,1-2H3,(H,20,21)/t14-,17-/m1/s1.
What are the key properties of [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol?
[(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol has a molecular weight of 332.42 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-3-(dimethylamino)-1-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl]piperidin-4-yl]methanol is sourced from PubChem (CID 91915686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).