(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

C15H17F2N3 — CID 124568925

IUPAC(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1cccc(F)c1CN1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H17F2N3/c16-13-4-1-5-14(17)12(13)10-20-8-2-3-11(9-20)15-6-7-18-19-15/h1,4-7,11H,2-3,8-10H2,(H,18,19)/t11-/m0/s1
InChIKeyRWXWFBRLKRIMNI-NSHDSACASA-N
MW277.32 g/mol
LogP3.07
Rot. Bonds3

About (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine

(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (PubChem CID 124568925) has the molecular formula C15H17F2N3 and a molecular weight of 277.32 g/mol. Its IUPAC name is (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.

Molecular Properties

Compound Name(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
PubChem CID124568925
Molecular FormulaC15H17F2N3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Name(3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
SMILESFc1cccc(F)c1CN1CCC[C@H](c2ccn[nH]2)C1
InChIInChI=1S/C15H17F2N3/c16-13-4-1-5-14(17)12(13)10-20-8-2-3-11(9-20)15-6-7-18-19-15/h1,4-7,11H,2-3,8-10H2,(H,18,19)/t11-/m0/s1
InChIKeyRWXWFBRLKRIMNI-NSHDSACASA-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

1-[(2,3-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 127247399
1-[(3,4-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 45200707
(3S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine
CID 125016849
(3S)-1-[2-(4-fluorophenyl)ethyl]-3-(1H-pyrazol-5-yl)piperidine
CID 95845269
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
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
1-[(2,6-difluorophenyl)methyl]-3-[4-(2-methylpropyl)-1H-pyrazol-5-yl]piperidine
CID 45219683
2-(2-chloro-6-fluorophenyl)-1-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124981202
1-(1-benzothiophen-2-ylmethyl)-3-(1H-pyrazol-5-yl)piperidine
CID 126464915
1-phenyl-4-[2-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethyl]piperazine
CID 124758004
8-fluoro-4-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]quinoline
CID 99793011

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The IUPAC name of (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine (CID 124568925) is (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine.
What is the SMILES notation for (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The canonical SMILES for (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is Fc1cccc(F)c1CN1CCC[C@H](c2ccn[nH]2)C1.
What is the InChIKey of (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
The InChIKey is RWXWFBRLKRIMNI-NSHDSACASA-N. The full InChI is InChI=1S/C15H17F2N3/c16-13-4-1-5-14(17)12(13)10-20-8-2-3-11(9-20)15-6-7-18-19-15/h1,4-7,11H,2-3,8-10H2,(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine?
(3S)-1-[(2,6-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 (3S)-1-[(2,6-difluorophenyl)methyl]-3-(1H-pyrazol-5-yl)piperidine is sourced from PubChem (CID 124568925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).