1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

C15H17F2N3 — CID 127247399

IUPAC1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1cccc(CN2CCCC(c3ccn[nH]3)C2)c1F
InChIInChI=1S/C15H17F2N3/c16-13-5-1-3-12(15(13)17)10-20-8-2-4-11(9-20)14-6-7-18-19-14/h1,3,5-7,11H,2,4,8-10H2,(H,18,19)
InChIKeyDFMONPQVSZDGDI-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.07
Rot. Bonds3

About 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 127247399) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID127247399
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1cccc(CN2CCCC(c3ccn[nH]3)C2)c1F
InChIInChI=1S/C15H17F2N3/c16-13-5-1-3-12(15(13)17)10-20-8-2-4-11(9-20)14-6-7-18-19-14/h1,3,5-7,11H,2,4,8-10H2,(H,18,19)
InChIKeyDFMONPQVSZDGDI-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-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 124568925
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
1-[(2-methylpyrazol-3-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 134696298
[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]methanamine
CID 43658934
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
3-[4-(2,6-difluorophenyl)-1H-pyrazol-5-yl]-1-[(2-fluorophenyl)methyl]piperidine
CID 45218502
1-[(2,3-difluorophenyl)methyl]azetidine
CID 126989798
1-[(5-bromofuran-2-yl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 122139250
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
3-(furan-2-yl)-5-[[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 124842582
4-[1-[(2,3-difluorophenyl)methyl]piperidin-3-yl]-2-pyridin-2-yl-1H-pyrimidin-6-one
CID 136858529

Frequently Asked Questions

What is the IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 127247399) is 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is Fc1cccc(CN2CCCC(c3ccn[nH]3)C2)c1F.
What is the InChIKey of 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is DFMONPQVSZDGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3/c16-13-5-1-3-12(15(13)17)10-20-8-2-4-11(9-20)14-6-7-18-19-14/h1,3,5-7,11H,2,4,8-10H2,(H,18,19).
What are the key properties of 1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
1-[(2,3-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-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 127247399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).