(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride

C15H18ClF2N3 — CID 154920497

IUPAC(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
SMILESC[C@H]1C[C@H](n2ccnc2-c2c(F)cccc2F)CCN1.Cl
InChIInChI=1S/C15H17F2N3.ClH/c1-10-9-11(5-6-18-10)20-8-7-19-15(20)14-12(16)3-2-4-13(14)17;/h2-4,7-8,10-11,18H,5-6,9H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyBCZFLQBOSMPFNM-VZXYPILPSA-N
MW313.78 g/mol
LogP3.56
Rot. Bonds2

About (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride

(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride (PubChem CID 154920497) has the molecular formula C15H18ClF2N3 and a molecular weight of 313.78 g/mol. Its IUPAC name is (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
PubChem CID154920497
Molecular FormulaC15H18ClF2N3
Molecular Weight313.78 g/mol
Exact Mass313.12
IUPAC Name(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride
SMILESC[C@H]1C[C@H](n2ccnc2-c2c(F)cccc2F)CCN1.Cl
InChIInChI=1S/C15H17F2N3.ClH/c1-10-9-11(5-6-18-10)20-8-7-19-15(20)14-12(16)3-2-4-13(14)17;/h2-4,7-8,10-11,18H,5-6,9H2,1H3;1H/t10-,11+;/m0./s1
InChIKeyBCZFLQBOSMPFNM-VZXYPILPSA-N
XLogP3.56
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.78
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,4R)-4-[2-(2-fluoro-5-methoxyphenyl)imidazol-1-yl]-2-methylpiperidine
CID 146039198
(3R,4S)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-3-methylpiperidine
CID 146044197
(2R,4R)-4-[2-(2,6-dichlorophenyl)imidazol-1-yl]-2-ethylpiperidine;dihydrochloride
CID 154923336
(2S,4R)-2-ethyl-4-[2-[3-(trifluoromethyl)phenyl]imidazol-1-yl]piperidine
CID 154566736
(2R,4R)-4-[2-(2,4-difluorophenyl)imidazol-1-yl]-2-ethylpiperidine
CID 146046104
4-[5-(3-fluorophenyl)imidazol-1-yl]-2-methylpiperidine
CID 106996443
4-[2-(2,3,4-trifluorophenyl)imidazol-1-yl]piperidine
CID 82559295
trans-(1S,2S)-2-[2-(2-fluoro-6-methoxyphenyl)imidazol-1-yl]cyclopentan-1-ol
CID 156585247
(2R,4R)-2-ethyl-4-[2-(2-phenylpyrazol-3-yl)imidazol-1-yl]piperidine
CID 154567649
4-(2-methylimidazol-1-yl)piperidine;dihydrochloride
CID 131883405
4-[2-(3-bromophenyl)imidazol-1-yl]piperidine
CID 82559766
4-[2-(2-fluorophenyl)imidazol-1-yl]thiane 1,1-dioxide
CID 154821323

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride?
The IUPAC name of (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride (CID 154920497) is (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride.
What is the SMILES notation for (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride?
The canonical SMILES for (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride is C[C@H]1C[C@H](n2ccnc2-c2c(F)cccc2F)CCN1.Cl.
What is the InChIKey of (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride?
The InChIKey is BCZFLQBOSMPFNM-VZXYPILPSA-N. The full InChI is InChI=1S/C15H17F2N3.ClH/c1-10-9-11(5-6-18-10)20-8-7-19-15(20)14-12(16)3-2-4-13(14)17;/h2-4,7-8,10-11,18H,5-6,9H2,1H3;1H/t10-,11+;/m0./s1.
What are the key properties of (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride?
(2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride has a molecular weight of 313.78 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-[2-(2,6-difluorophenyl)imidazol-1-yl]-2-methylpiperidine;hydrochloride is sourced from PubChem (CID 154920497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).