2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride

C10H18ClF2N — CID 126845345

IUPAC2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride
SMILESCCC1C(C2CCCCN2)C1(F)F.Cl
InChIInChI=1S/C10H17F2N.ClH/c1-2-7-9(10(7,11)12)8-5-3-4-6-13-8;/h7-9,13H,2-6H2,1H3;1H
InChIKeyMJEYFDOEQZFJIO-UHFFFAOYSA-N
MW225.71 g/mol
LogP2.84
Rot. Bonds2

About 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride

2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride (PubChem CID 126845345) has the molecular formula C10H18ClF2N and a molecular weight of 225.71 g/mol. Its IUPAC name is 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride.

Molecular Properties

Compound Name2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride
PubChem CID126845345
Molecular FormulaC10H18ClF2N
Molecular Weight225.71 g/mol
Exact Mass225.11
IUPAC Name2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride
SMILESCCC1C(C2CCCCN2)C1(F)F.Cl
InChIInChI=1S/C10H17F2N.ClH/c1-2-7-9(10(7,11)12)8-5-3-4-6-13-8;/h7-9,13H,2-6H2,1H3;1H
InChIKeyMJEYFDOEQZFJIO-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethyl 2-(2,2-difluoro-3-piperidin-2-ylcyclopropyl)acetate;hydrochloride
CID 126845612
2-(2,2-difluoro-3-methylcyclopropyl)pyrrolidine
CID 126845216
2-(3-cyclopentyl-2,2-difluorocyclopropyl)pyrrolidine
CID 126845474
2-[2,2-difluoro-3-(oxan-4-yl)cyclopropyl]piperidine;hydrochloride
CID 126845508
2-(3,3-difluorocyclobutyl)azepane
CID 130834422
2-cycloheptylpiperidine;hydrochloride
CID 115030388
(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
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-ethylpiperidine;hydrobromide
CID 131717239
2-(2-fluoro-2-methylcyclopentyl)piperidine
CID 131137648
2-cyclodecylazecane
CID 126739440

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride?
The IUPAC name of 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride (CID 126845345) is 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride.
What is the SMILES notation for 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride?
The canonical SMILES for 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride is CCC1C(C2CCCCN2)C1(F)F.Cl.
What is the InChIKey of 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride?
The InChIKey is MJEYFDOEQZFJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N.ClH/c1-2-7-9(10(7,11)12)8-5-3-4-6-13-8;/h7-9,13H,2-6H2,1H3;1H.
What are the key properties of 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride?
2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride has a molecular weight of 225.71 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-2,2-difluorocyclopropyl)piperidine;hydrochloride is sourced from PubChem (CID 126845345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).