4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine

C15H26F3N — CID 177031700

IUPAC4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C(F)(F)CC)CCN(CC(F)CC)CC1
InChIInChI=1S/C15H26F3N/c1-5-13(16)11-19-9-7-14(8-10-19,12(3)4)15(17,18)6-2/h13H,3,5-11H2,1-2,4H3
InChIKeyBVIMXFPVHXHHRC-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.44
Rot. Bonds6

About 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine

4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine (PubChem CID 177031700) has the molecular formula C15H26F3N and a molecular weight of 277.37 g/mol. Its IUPAC name is 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
PubChem CID177031700
Molecular FormulaC15H26F3N
Molecular Weight277.37 g/mol
Exact Mass277.20
IUPAC Name4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine
SMILESC=C(C)C1(C(F)(F)CC)CCN(CC(F)CC)CC1
InChIInChI=1S/C15H26F3N/c1-5-13(16)11-19-9-7-14(8-10-19,12(3)4)15(17,18)6-2/h13H,3,5-11H2,1-2,4H3
InChIKeyBVIMXFPVHXHHRC-UHFFFAOYSA-N
XLogP4.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(3S)-1-(2,2-dimethylpropyl)-3-fluoro-3-prop-2-enylpiperidine
CID 135010029
4-Tert-butyl-1-(3,4,4-trifluorobut-3-enyl)piperidine
CID 58974891
1-(4-Fluorobutyl)-4-prop-1-en-2-ylpiperidine
CID 89140664
1-[1,2-Difluoro-3-methyl-2-(trifluoromethyl)but-3-enyl]piperidine
CID 124118182
3-Fluoro-1-methyl-3-prop-2-enylpiperidine
CID 129044070
4-(5-Fluoro-4-methylidenehexa-1,5-dien-2-yl)-1-methylpiperidine
CID 134365582
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)piperidine
CID 134384141
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)-3,5-bis(trifluoromethyl)piperidine
CID 134384146
1-(1,1,2,3,3-Pentafluoro-4-methylpent-4-enyl)-4-(trifluoromethyl)piperidine
CID 134384155
3,5-Dimethyl-1-(1,2,2-trifluoro-3-methylbut-3-enyl)piperidine
CID 134531065
1-(1,2-Difluoro-2,3-dimethylbut-3-enyl)-3,5-dimethylpiperidine
CID 134531079
(3R,4S)-3-fluoro-1-methyl-4-prop-1-en-2-ylpiperidine
CID 143775541

Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The IUPAC name of 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine (CID 177031700) is 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The canonical SMILES for 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine is C=C(C)C1(C(F)(F)CC)CCN(CC(F)CC)CC1.
What is the InChIKey of 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
The InChIKey is BVIMXFPVHXHHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3N/c1-5-13(16)11-19-9-7-14(8-10-19,12(3)4)15(17,18)6-2/h13H,3,5-11H2,1-2,4H3.
What are the key properties of 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine?
4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine has a molecular weight of 277.37 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoropropyl)-1-(2-fluorobutyl)-4-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 177031700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).