3-(1,1-difluoropropyl)piperidine;hydrochloride

C8H16ClF2N — CID 115058466

IUPAC3-(1,1-difluoropropyl)piperidine;hydrochloride
SMILESCCC(F)(F)C1CCCNC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-2-8(9,10)7-4-3-5-11-6-7;/h7,11H,2-6H2,1H3;1H
InChIKeyLYIGJLXYRSGJJR-UHFFFAOYSA-N
MW199.67 g/mol
LogP2.45
Rot. Bonds2

About 3-(1,1-difluoropropyl)piperidine;hydrochloride

3-(1,1-difluoropropyl)piperidine;hydrochloride (PubChem CID 115058466) has the molecular formula C8H16ClF2N and a molecular weight of 199.67 g/mol. Its IUPAC name is 3-(1,1-difluoropropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(1,1-difluoropropyl)piperidine;hydrochloride
PubChem CID115058466
Molecular FormulaC8H16ClF2N
Molecular Weight199.67 g/mol
Exact Mass199.09
IUPAC Name3-(1,1-difluoropropyl)piperidine;hydrochloride
SMILESCCC(F)(F)C1CCCNC1.Cl
InChIInChI=1S/C8H15F2N.ClH/c1-2-8(9,10)7-4-3-5-11-6-7;/h7,11H,2-6H2,1H3;1H
InChIKeyLYIGJLXYRSGJJR-UHFFFAOYSA-N
XLogP2.45
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.67
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-piperidin-3-ylbutan-2-ol
CID 63586087
O-(2,2-difluoro-2-piperidin-3-ylethyl)hydroxylamine
CID 115015581
3-(1-cyclopropyl-1-fluoroethyl)piperidine
CID 112564879
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-fluoro-2-piperidin-3-ylpropan-1-amine
CID 105431462
3-[cyclobutyl(difluoro)methyl]piperidine
CID 105443675
3-(1,1-difluoro-2-methylpropyl)piperidine
CID 83855168
3-(4-ethyl-2-fluorohexan-2-yl)piperidine
CID 112564814
(3R)-3-tert-butylpiperidine
CID 59772800
3-[1-(4-ethylphenyl)-2-fluoropropan-2-yl]piperidine
CID 112564764
2-piperidin-3-ylpentan-2-ol
CID 63586269
3-(2-fluoro-1-methoxypropan-2-yl)piperidine
CID 112564846

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoropropyl)piperidine;hydrochloride?
The IUPAC name of 3-(1,1-difluoropropyl)piperidine;hydrochloride (CID 115058466) is 3-(1,1-difluoropropyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(1,1-difluoropropyl)piperidine;hydrochloride?
The canonical SMILES for 3-(1,1-difluoropropyl)piperidine;hydrochloride is CCC(F)(F)C1CCCNC1.Cl.
What is the InChIKey of 3-(1,1-difluoropropyl)piperidine;hydrochloride?
The InChIKey is LYIGJLXYRSGJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2N.ClH/c1-2-8(9,10)7-4-3-5-11-6-7;/h7,11H,2-6H2,1H3;1H.
What are the key properties of 3-(1,1-difluoropropyl)piperidine;hydrochloride?
3-(1,1-difluoropropyl)piperidine;hydrochloride has a molecular weight of 199.67 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoropropyl)piperidine;hydrochloride is sourced from PubChem (CID 115058466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).