2-(1-methylpiperidin-2-yl)cyclohexan-1-one

C12H21NO — CID 15487527

IUPAC2-(1-methylpiperidin-2-yl)cyclohexan-1-one
SMILESCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C12H21NO/c1-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14/h10-11H,2-9H2,1H3
InChIKeySVVFNFDAGSMHFS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.23
Rot. Bonds1

About 2-(1-methylpiperidin-2-yl)cyclohexan-1-one

2-(1-methylpiperidin-2-yl)cyclohexan-1-one (PubChem CID 15487527) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)cyclohexan-1-one
PubChem CID15487527
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-(1-methylpiperidin-2-yl)cyclohexan-1-one
SMILESCN1CCCCC1C1CCCCC1=O
InChIInChI=1S/C12H21NO/c1-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14/h10-11H,2-9H2,1H3
InChIKeySVVFNFDAGSMHFS-UHFFFAOYSA-N
XLogP2.23
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-methylpiperidin-2-yl)cyclohexan-1-one (CID 15487527) is 2-(1-methylpiperidin-2-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)cyclohexan-1-one is CN1CCCCC1C1CCCCC1=O.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)cyclohexan-1-one?
The InChIKey is SVVFNFDAGSMHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-9-5-4-7-11(13)10-6-2-3-8-12(10)14/h10-11H,2-9H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)cyclohexan-1-one?
2-(1-methylpiperidin-2-yl)cyclohexan-1-one has a molecular weight of 195.31 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)cyclohexan-1-one is sourced from PubChem (CID 15487527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).