2-cycloheptylpiperidine;hydrochloride

C12H24ClN — CID 115030388

IUPAC2-cycloheptylpiperidine;hydrochloride
SMILESC1CCCC(C2CCCCN2)CC1.Cl
InChIInChI=1S/C12H23N.ClH/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;/h11-13H,1-10H2;1H
InChIKeyUQXYHCCFFSKKPT-UHFFFAOYSA-N
MW217.78 g/mol
LogP3.52
Rot. Bonds1

About 2-cycloheptylpiperidine;hydrochloride

2-cycloheptylpiperidine;hydrochloride (PubChem CID 115030388) has the molecular formula C12H24ClN and a molecular weight of 217.78 g/mol. Its IUPAC name is 2-cycloheptylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-cycloheptylpiperidine;hydrochloride
PubChem CID115030388
Molecular FormulaC12H24ClN
Molecular Weight217.78 g/mol
Exact Mass217.16
IUPAC Name2-cycloheptylpiperidine;hydrochloride
SMILESC1CCCC(C2CCCCN2)CC1.Cl
InChIInChI=1S/C12H23N.ClH/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;/h11-13H,1-10H2;1H
InChIKeyUQXYHCCFFSKKPT-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.78
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-2-cyclohexylpiperidine
CID 7016471
2-cyclodecylazecane
CID 126739440
2-cycloheptylpyrrolidine;hydrochloride
CID 115023231
(5aR,9aR)-2,3,4,5,5a,6,7,8,9,9a-decahydro-1H-benzo[b]azepine
CID 92720077
2-(4-cyclohexylcyclohexyl)piperidine
CID 83404287
2-cyclopentylpyrrolidine
CID 4031549
2,3,4,4a,5,6,7,8,9,9a-decahydro-1H-cyclohepta[b]pyridine;ethane
CID 142196659
2-piperidin-4-ylpiperidine;dihydrochloride
CID 86100620
CID 174042900
CID 174042900
2-pyrrolidin-2-ylpiperidine
CID 14810994
6-methyl-2-(5-methylcyclononyl)azonane
CID 146602825
2-(3,3-difluorocyclobutyl)azepane
CID 130834422

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptylpiperidine;hydrochloride?
The IUPAC name of 2-cycloheptylpiperidine;hydrochloride (CID 115030388) is 2-cycloheptylpiperidine;hydrochloride.
What is the SMILES notation for 2-cycloheptylpiperidine;hydrochloride?
The canonical SMILES for 2-cycloheptylpiperidine;hydrochloride is C1CCCC(C2CCCCN2)CC1.Cl.
What is the InChIKey of 2-cycloheptylpiperidine;hydrochloride?
The InChIKey is UQXYHCCFFSKKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.ClH/c1-2-4-8-11(7-3-1)12-9-5-6-10-13-12;/h11-13H,1-10H2;1H.
What are the key properties of 2-cycloheptylpiperidine;hydrochloride?
2-cycloheptylpiperidine;hydrochloride has a molecular weight of 217.78 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptylpiperidine;hydrochloride is sourced from PubChem (CID 115030388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).