3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride

C11H20ClF2N — CID 126845296

IUPAC3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride
SMILESCC(C)C1C(C2CCCNC2)C1(F)F.Cl
InChIInChI=1S/C11H19F2N.ClH/c1-7(2)9-10(11(9,12)13)8-4-3-5-14-6-8;/h7-10,14H,3-6H2,1-2H3;1H
InChIKeyAWMMTSAQHNLXHZ-UHFFFAOYSA-N
MW239.74 g/mol
LogP2.95
Rot. Bonds2

About 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride

3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride (PubChem CID 126845296) has the molecular formula C11H20ClF2N and a molecular weight of 239.74 g/mol. Its IUPAC name is 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride
PubChem CID126845296
Molecular FormulaC11H20ClF2N
Molecular Weight239.74 g/mol
Exact Mass239.13
IUPAC Name3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride
SMILESCC(C)C1C(C2CCCNC2)C1(F)F.Cl
InChIInChI=1S/C11H19F2N.ClH/c1-7(2)9-10(11(9,12)13)8-4-3-5-14-6-8;/h7-10,14H,3-6H2,1-2H3;1H
InChIKeyAWMMTSAQHNLXHZ-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.74
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine
CID 126845300
3-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
CID 126845475
3-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845218
(3S)-3-[(1S)-1-fluoroethyl]piperidine
CID 124547553
3-(3,3,5,5-tetramethylcyclohexyl)piperidine
CID 165449949
(3R)-3-(azetidin-3-yl)piperidine
CID 172571282
3-(5-methyl-4-propan-2-ylpyrrolidin-3-yl)piperidine
CID 138554774
ethane;2-[(3R)-piperidin-3-yl]-2,3-dihydro-1,3-thiazole
CID 166103059
(3S)-3-cyclohexylpiperidine
CID 7016473
ethane;6-propan-2-yl-2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine
CID 164599271
3-propan-2-yloxypiperidine;hydrochloride
CID 53409755
1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline;ethane
CID 142260650

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride?
The IUPAC name of 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride (CID 126845296) is 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride.
What is the SMILES notation for 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride?
The canonical SMILES for 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride is CC(C)C1C(C2CCCNC2)C1(F)F.Cl.
What is the InChIKey of 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride?
The InChIKey is AWMMTSAQHNLXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N.ClH/c1-7(2)9-10(11(9,12)13)8-4-3-5-14-6-8;/h7-10,14H,3-6H2,1-2H3;1H.
What are the key properties of 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride?
3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride has a molecular weight of 239.74 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoro-3-propan-2-ylcyclopropyl)piperidine;hydrochloride is sourced from PubChem (CID 126845296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).