2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride

C13H26ClNO — CID 115046240

IUPAC2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(C2CCCCCC2)NCCCC1O.Cl
InChIInChI=1S/C13H25NO.ClH/c1-13(12(15)9-6-10-14-13)11-7-4-2-3-5-8-11;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyAGHZLFLSTGWMSD-UHFFFAOYSA-N
MW247.81 g/mol
LogP2.88
Rot. Bonds1

About 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride

2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride (PubChem CID 115046240) has the molecular formula C13H26ClNO and a molecular weight of 247.81 g/mol. Its IUPAC name is 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride.

Molecular Properties

Compound Name2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride
PubChem CID115046240
Molecular FormulaC13H26ClNO
Molecular Weight247.81 g/mol
Exact Mass247.17
IUPAC Name2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride
SMILESCC1(C2CCCCCC2)NCCCC1O.Cl
InChIInChI=1S/C13H25NO.ClH/c1-13(12(15)9-6-10-14-13)11-7-4-2-3-5-8-11;/h11-12,14-15H,2-10H2,1H3;1H
InChIKeyAGHZLFLSTGWMSD-UHFFFAOYSA-N
XLogP2.88
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.81
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride?
The IUPAC name of 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride (CID 115046240) is 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride.
What is the SMILES notation for 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride?
The canonical SMILES for 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride is CC1(C2CCCCCC2)NCCCC1O.Cl.
What is the InChIKey of 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride?
The InChIKey is AGHZLFLSTGWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.ClH/c1-13(12(15)9-6-10-14-13)11-7-4-2-3-5-8-11;/h11-12,14-15H,2-10H2,1H3;1H.
What are the key properties of 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride?
2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride has a molecular weight of 247.81 g/mol, XLogP of 2.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-2-methylpiperidin-3-ol;hydrochloride is sourced from PubChem (CID 115046240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).