(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine

C16H20FN3 — CID 95845269

IUPAC(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CCN2CCC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C16H20FN3/c17-15-5-3-13(4-6-15)8-11-20-10-1-2-14(12-20)16-7-9-18-19-16/h3-7,9,14H,1-2,8,10-12H2,(H,18,19)/t14-/m0/s1
InChIKeyKGZGXXNKNFUGIS-AWEZNQCLSA-N
MW273.36 g/mol
LogP2.97
Rot. Bonds4

About (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine

(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 95845269) has the molecular formula C16H20FN3 and a molecular weight of 273.36 g/mol. Its IUPAC name is (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID95845269
Molecular FormulaC16H20FN3
Molecular Weight273.36 g/mol
Exact Mass273.16
IUPAC Name(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CCN2CCC[C@H](c3ccn[nH]3)C2)cc1
InChIInChI=1S/C16H20FN3/c17-15-5-3-13(4-6-15)8-11-20-10-1-2-14(12-20)16-7-9-18-19-16/h3-7,9,14H,1-2,8,10-12H2,(H,18,19)/t14-/m0/s1
InChIKeyKGZGXXNKNFUGIS-AWEZNQCLSA-N
XLogP2.97
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine 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-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
5-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-1H-pyrazole
CID 124948771
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
1-[2-(4-ethoxyphenoxy)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 126770076
1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781193
3-(4-fluorophenoxy)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]propan-1-one
CID 95768716
(3S)-1-[2-[[(2R)-oxolan-2-yl]methoxy]ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 98768010
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine (CID 95845269) is (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine is Fc1ccc(CCN2CCC[C@H](c3ccn[nH]3)C2)cc1.
What is the InChIKey of (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is KGZGXXNKNFUGIS-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H20FN3/c17-15-5-3-13(4-6-15)8-11-20-10-1-2-14(12-20)16-7-9-18-19-16/h3-7,9,14H,1-2,8,10-12H2,(H,18,19)/t14-/m0/s1.
What are the key properties of (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine?
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 273.36 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 95845269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).