2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine

C12H21F2NO — CID 116840300

IUPAC2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine
SMILESFC(F)(CC1CCCCN1)C1CCOCC1
InChIInChI=1S/C12H21F2NO/c13-12(14,10-4-7-16-8-5-10)9-11-3-1-2-6-15-11/h10-11,15H,1-9H2
InChIKeyJCNYUWIMZZQOQU-UHFFFAOYSA-N
MW233.30 g/mol
LogP2.58
Rot. Bonds3

About 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine

2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine (PubChem CID 116840300) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine.

Molecular Properties

Compound Name2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine
PubChem CID116840300
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine
SMILESFC(F)(CC1CCCCN1)C1CCOCC1
InChIInChI=1S/C12H21F2NO/c13-12(14,10-4-7-16-8-5-10)9-11-3-1-2-6-15-11/h10-11,15H,1-9H2
InChIKeyJCNYUWIMZZQOQU-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(oxan-4-yl)ethyl]piperidine;hydrochloride
CID 126845727
2-[difluoro(oxan-4-yl)methyl]azepane
CID 115058361
N-(piperidin-2-ylmethyl)oxan-4-amine
CID 106633164
2-[2-fluoro-2-(3-methylcyclohexyl)propyl]piperidine
CID 113462336
N-methyl-1-(oxan-4-yl)-N-[[(2R)-piperidin-2-yl]methyl]methanamine
CID 86323616
N-methyl-N-(2-piperidin-2-ylethyl)oxan-4-amine
CID 43611270
N-(azocan-2-ylmethyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 114240374
2-[2-(oxan-4-yl)ethyl]pyrrolidine;hydrochloride
CID 126845736
2-(oxan-4-ylmethoxymethyl)piperidine
CID 62383000
2-(2-fluoro-2-methylbut-3-enyl)pyrrolidine
CID 131064786
2,2-difluoro-3-pyrrolidin-2-ylpropanoyl chloride
CID 105451153
2-(2-fluoro-2-methylbutyl)pyrrolidine
CID 105431305

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine?
The IUPAC name of 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine (CID 116840300) is 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine.
What is the SMILES notation for 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine?
The canonical SMILES for 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine is FC(F)(CC1CCCCN1)C1CCOCC1.
What is the InChIKey of 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine?
The InChIKey is JCNYUWIMZZQOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14,10-4-7-16-8-5-10)9-11-3-1-2-6-15-11/h10-11,15H,1-9H2.
What are the key properties of 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine?
2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine has a molecular weight of 233.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-2-(oxan-4-yl)ethyl]piperidine is sourced from PubChem (CID 116840300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).