1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine

C10H19F2N — CID 58395354

IUPAC1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
SMILESCCN1CCC(C(C)C)C(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-4-13-6-5-9(8(2)3)10(11,12)7-13/h8-9H,4-7H2,1-3H3
InChIKeyIEXFQRYWPRKYTA-UHFFFAOYSA-N
MW191.26 g/mol
LogP2.62
Rot. Bonds2

About 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine

1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine (PubChem CID 58395354) has the molecular formula C10H19F2N and a molecular weight of 191.26 g/mol. Its IUPAC name is 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
PubChem CID58395354
Molecular FormulaC10H19F2N
Molecular Weight191.26 g/mol
Exact Mass191.15
IUPAC Name1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine
SMILESCCN1CCC(C(C)C)C(F)(F)C1
InChIInChI=1S/C10H19F2N/c1-4-13-6-5-9(8(2)3)10(11,12)7-13/h8-9H,4-7H2,1-3H3
InChIKeyIEXFQRYWPRKYTA-UHFFFAOYSA-N
XLogP2.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-3,3-difluoro-4-propan-2-yl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 171598437
1-(1-ethyl-3,3-difluoropiperidin-4-yl)-4-methylpiperazine
CID 170397196
7-[[3,3-difluoro-1-(2-methylpropyl)piperidin-4-yl]methyl]-2-ethyl-2,7-diazaspiro[3.5]nonane
CID 154671243
(4R)-3,3-difluoro-1-(3-methylbutyl)-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 176796984
(3S)-1-ethyl-4-(fluoromethyl)-3-methyl-3-(2-methylpropyl)piperidine
CID 178101250
3,3-difluoro-1-[[2-fluoro-4-(3-propan-2-ylphenyl)phenyl]methyl]-4-propan-2-ylpiperidine
CID 177057014
ethane;6-ethyl-2-[(1-ethylpiperidin-4-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 156885432
(4R)-1-(3,3-dimethylbutyl)-3,3-difluoro-4-(4-propan-2-ylpiperidin-1-yl)piperidine
CID 177134647
2-(bromomethyl)-6-ethyl-6-azaspiro[3.4]octane
CID 71635297
ethane;7-ethyl-2-propan-2-yl-2,7-diazaspiro[4.4]nonane
CID 164540860
ethane;1-ethyl-4-methylpiperidine
CID 143737046
1-(1-ethylpiperidin-4-yl)ethanol
CID 588327

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine?
The IUPAC name of 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine (CID 58395354) is 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine.
What is the SMILES notation for 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine?
The canonical SMILES for 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine is CCN1CCC(C(C)C)C(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine?
The InChIKey is IEXFQRYWPRKYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N/c1-4-13-6-5-9(8(2)3)10(11,12)7-13/h8-9H,4-7H2,1-3H3.
What are the key properties of 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine?
1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine has a molecular weight of 191.26 g/mol, XLogP of 2.62, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluoro-4-propan-2-ylpiperidine is sourced from PubChem (CID 58395354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).