4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine

C14H19F2N — CID 84701340

IUPAC4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
SMILESCCc1ccccc1CC1CCNCC1(F)F
InChIInChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyHRIRXLSSOXZFTI-UHFFFAOYSA-N
MW239.31 g/mol
LogP3.04
Rot. Bonds3

About 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine

4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine (PubChem CID 84701340) has the molecular formula C14H19F2N and a molecular weight of 239.31 g/mol. Its IUPAC name is 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine.

Molecular Properties

Compound Name4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
PubChem CID84701340
Molecular FormulaC14H19F2N
Molecular Weight239.31 g/mol
Exact Mass239.15
IUPAC Name4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine
SMILESCCc1ccccc1CC1CCNCC1(F)F
InChIInChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyHRIRXLSSOXZFTI-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(2-chlorophenyl)methyl]-3,3-difluoropiperidine
CID 84705381
4-[(2-bromophenyl)methyl]-3,3-difluoropiperidine
CID 84814798
3,3-difluoro-4-[(4-methylphenyl)methyl]piperidine
CID 84689880
3,3-difluoro-4-propylpiperidine
CID 84651633
3,3-difluoro-4-[(2-fluorophenyl)methyl]pyrrolidine
CID 84680894
(4R)-3,3-difluoro-4-phenylpiperidine
CID 97032408
3,3-difluoro-4-(2-methylpropyl)piperidine;ethane
CID 160527245
(4R)-3,3-difluoro-N-methyl-N-[(1R)-1-phenylethyl]piperidin-4-amine
CID 154669081
1,2-diethylbenzene;1,4-dimethylcyclohexane
CID 142228373
3-(3,3-difluoropiperidin-4-yl)propanoic acid
CID 105446725
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-methylpyridin-2-amine
CID 134542653
N-[(3,3-difluoropiperidin-4-yl)methyl]-2-(6-methyl-1H-indol-3-yl)acetamide
CID 138004346

Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The IUPAC name of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine (CID 84701340) is 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine.
What is the SMILES notation for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The canonical SMILES for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine is CCc1ccccc1CC1CCNCC1(F)F.
What is the InChIKey of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
The InChIKey is HRIRXLSSOXZFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N/c1-2-11-5-3-4-6-12(11)9-13-7-8-17-10-14(13,15)16/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine?
4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine has a molecular weight of 239.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylphenyl)methyl]-3,3-difluoropiperidine is sourced from PubChem (CID 84701340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).