2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride

C13H22ClF2NO — CID 126845508

IUPAC2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride
SMILESCl.FC1(F)C(C2CCOCC2)C1C1CCCCN1
InChIInChI=1S/C13H21F2NO.ClH/c14-13(15)11(9-4-7-17-8-5-9)12(13)10-3-1-2-6-16-10;/h9-12,16H,1-8H2;1H
InChIKeyQMHNHTHCEFRIOG-UHFFFAOYSA-N
MW281.77 g/mol
LogP2.86
Rot. Bonds2

About 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride

2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride (PubChem CID 126845508) has the molecular formula C13H22ClF2NO and a molecular weight of 281.77 g/mol. Its IUPAC name is 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride.

Molecular Properties

Compound Name2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride
PubChem CID126845508
Molecular FormulaC13H22ClF2NO
Molecular Weight281.77 g/mol
Exact Mass281.14
IUPAC Name2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride
SMILESCl.FC1(F)C(C2CCOCC2)C1C1CCCCN1
InChIInChI=1S/C13H21F2NO.ClH/c14-13(15)11(9-4-7-17-8-5-9)12(13)10-3-1-2-6-16-10;/h9-12,16H,1-8H2;1H
InChIKeyQMHNHTHCEFRIOG-UHFFFAOYSA-N
XLogP2.86
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.77
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474
(2S)-2-(oxan-4-yl)pyrrolidine
CID 94891765
2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride
CID 126845345
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
2-(3,3-difluorocyclobutyl)azepane
CID 130834422
2-cycloheptylpiperidine;hydrochloride
CID 115030388
3-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine;hydrochloride
CID 126845475
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-pyrrolidin-2-ylpiperidine
CID 14810994
(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride?
The IUPAC name of 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride (CID 126845508) is 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride.
What is the SMILES notation for 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride?
The canonical SMILES for 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride is Cl.FC1(F)C(C2CCOCC2)C1C1CCCCN1.
What is the InChIKey of 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride?
The InChIKey is QMHNHTHCEFRIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO.ClH/c14-13(15)11(9-4-7-17-8-5-9)12(13)10-3-1-2-6-16-10;/h9-12,16H,1-8H2;1H.
What are the key properties of 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride?
2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride has a molecular weight of 281.77 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride is sourced from PubChem (CID 126845508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).