1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

C15H17F2N3 — CID 45200707

IUPAC1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CN2CCCC(c3ccn[nH]3)C2)cc1F
InChIInChI=1S/C15H17F2N3/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15-5-6-18-19-15/h3-6,8,12H,1-2,7,9-10H2,(H,18,19)
InChIKeyNAEPCBMXRMHCMH-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.07
Rot. Bonds3

About 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 45200707) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID45200707
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1ccc(CN2CCCC(c3ccn[nH]3)C2)cc1F
InChIInChI=1S/C15H17F2N3/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15-5-6-18-19-15/h3-6,8,12H,1-2,7,9-10H2,(H,18,19)
InChIKeyNAEPCBMXRMHCMH-UHFFFAOYSA-N
XLogP3.07
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
5-[(3S)-1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]-1H-pyrazole
CID 95846034
(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
6-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124568885
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
2-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]pyrazine
CID 95829511
2-methyl-4-[4-[[3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenyl]but-3-yn-2-ol
CID 45181117
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
7-[(3S)-1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]-N,2-dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 175378504
1-ethyl-5-fluoro-2-[[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzimidazole
CID 95781193

Frequently Asked Questions

What is the IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 45200707) is 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is Fc1ccc(CN2CCCC(c3ccn[nH]3)C2)cc1F.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is NAEPCBMXRMHCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-13-4-3-11(8-14(13)17)9-20-7-1-2-12(10-20)15-5-6-18-19-15/h3-6,8,12H,1-2,7,9-10H2,(H,18,19).
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine has a molecular weight of 277.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 45200707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).