1-cycloheptyl-3-hydroxypiperidin-2-one

C12H21NO2 — CID 117014090

IUPAC1-cycloheptyl-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-11-8-5-9-13(12(11)15)10-6-3-1-2-4-7-10/h10-11,14H,1-9H2
InChIKeyMUBVQXJRBRBVDM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.69
Rot. Bonds1

About 1-cycloheptyl-3-hydroxypiperidin-2-one

1-cycloheptyl-3-hydroxypiperidin-2-one (PubChem CID 117014090) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is 1-cycloheptyl-3-hydroxypiperidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-hydroxypiperidin-2-one
PubChem CID117014090
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name1-cycloheptyl-3-hydroxypiperidin-2-one
SMILESO=C1C(O)CCCN1C1CCCCCC1
InChIInChI=1S/C12H21NO2/c14-11-8-5-9-13(12(11)15)10-6-3-1-2-4-7-10/h10-11,14H,1-9H2
InChIKeyMUBVQXJRBRBVDM-UHFFFAOYSA-N
XLogP1.69
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-hydroxypiperidin-2-one?
The IUPAC name of 1-cycloheptyl-3-hydroxypiperidin-2-one (CID 117014090) is 1-cycloheptyl-3-hydroxypiperidin-2-one.
What is the SMILES notation for 1-cycloheptyl-3-hydroxypiperidin-2-one?
The canonical SMILES for 1-cycloheptyl-3-hydroxypiperidin-2-one is O=C1C(O)CCCN1C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-3-hydroxypiperidin-2-one?
The InChIKey is MUBVQXJRBRBVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c14-11-8-5-9-13(12(11)15)10-6-3-1-2-4-7-10/h10-11,14H,1-9H2.
What are the key properties of 1-cycloheptyl-3-hydroxypiperidin-2-one?
1-cycloheptyl-3-hydroxypiperidin-2-one has a molecular weight of 211.30 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-3-hydroxypiperidin-2-one is sourced from PubChem (CID 117014090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).