2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine

C11H17F2N3 — CID 114721475

IUPAC2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2CC(F)F)N1
InChIInChI=1S/C11H17F2N3/c1-8-3-2-4-9(15-8)10-5-14-7-16(10)6-11(12)13/h5,7-9,11,15H,2-4,6H2,1H3
InChIKeyHPCFAXMBBPQDKF-UHFFFAOYSA-N
MW229.27 g/mol
LogP2.35
Rot. Bonds3

About 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine

2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine (PubChem CID 114721475) has the molecular formula C11H17F2N3 and a molecular weight of 229.27 g/mol. Its IUPAC name is 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine.

Molecular Properties

Compound Name2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
PubChem CID114721475
Molecular FormulaC11H17F2N3
Molecular Weight229.27 g/mol
Exact Mass229.14
IUPAC Name2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine
SMILESCC1CCCC(c2cncn2CC(F)F)N1
InChIInChI=1S/C11H17F2N3/c1-8-3-2-4-9(15-8)10-5-14-7-16(10)6-11(12)13/h5,7-9,11,15H,2-4,6H2,1H3
InChIKeyHPCFAXMBBPQDKF-UHFFFAOYSA-N
XLogP2.35
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-[3-(3-methylbutyl)imidazol-4-yl]piperidine
CID 114716386
2-methyl-6-[3-(oxan-4-ylmethyl)imidazol-4-yl]piperidine
CID 114720357
2-[3-(dicyclopropylmethyl)imidazol-4-yl]-6-methylpiperidine
CID 114719576
2-methyl-6-[3-(1-pyrrolidin-1-ylpropan-2-yl)imidazol-4-yl]piperidine
CID 114719364
2-methyl-6-(3-pentan-2-ylimidazol-4-yl)piperidine
CID 114716663
2-methyl-6-[3-(oxolan-3-ylmethyl)imidazol-4-yl]piperidine
CID 114719966
N,N-dimethyl-2-[5-(6-methylpiperidin-2-yl)imidazol-1-yl]acetamide
CID 114715959
2-[3-[(4-methoxyphenyl)methyl]imidazol-4-yl]-6-methylpiperidine
CID 114716493
1,4-dimethyl-2-[[5-(6-methylpiperidin-2-yl)imidazol-1-yl]methyl]piperazine
CID 114720756
2-methyl-6-[3-(3-phenylpropyl)imidazol-4-yl]piperidine
CID 114718231
2-methyl-6-[3-[(2-methylthiolan-2-yl)methyl]imidazol-4-yl]piperidine
CID 114721451
2-methyl-6-[3-[2-(2-methylphenyl)ethyl]imidazol-4-yl]piperidine
CID 114721154

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine?
The IUPAC name of 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine (CID 114721475) is 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine.
What is the SMILES notation for 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine?
The canonical SMILES for 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine is CC1CCCC(c2cncn2CC(F)F)N1.
What is the InChIKey of 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine?
The InChIKey is HPCFAXMBBPQDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F2N3/c1-8-3-2-4-9(15-8)10-5-14-7-16(10)6-11(12)13/h5,7-9,11,15H,2-4,6H2,1H3.
What are the key properties of 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine?
2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine has a molecular weight of 229.27 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoroethyl)imidazol-4-yl]-6-methylpiperidine is sourced from PubChem (CID 114721475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).