6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

C15H27NO2 — CID 114681871

IUPAC6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1CN(CC2CCCC(C)(C)C2=O)CCC1O
InChIInChI=1S/C15H27NO2/c1-11-9-16(8-6-13(11)17)10-12-5-4-7-15(2,3)14(12)18/h11-13,17H,4-10H2,1-3H3
InChIKeyNDZSELCGSPXFQX-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.08
Rot. Bonds2

About 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one

6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (PubChem CID 114681871) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.

Molecular Properties

Compound Name6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
PubChem CID114681871
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
SMILESCC1CN(CC2CCCC(C)(C)C2=O)CCC1O
InChIInChI=1S/C15H27NO2/c1-11-9-16(8-6-13(11)17)10-12-5-4-7-15(2,3)14(12)18/h11-13,17H,4-10H2,1-3H3
InChIKeyNDZSELCGSPXFQX-UHFFFAOYSA-N
XLogP2.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The IUPAC name of 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one (CID 114681871) is 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one.
What is the SMILES notation for 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The canonical SMILES for 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is CC1CN(CC2CCCC(C)(C)C2=O)CCC1O.
What is the InChIKey of 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
The InChIKey is NDZSELCGSPXFQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-11-9-16(8-6-13(11)17)10-12-5-4-7-15(2,3)14(12)18/h11-13,17H,4-10H2,1-3H3.
What are the key properties of 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one?
6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one has a molecular weight of 253.39 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-hydroxy-3-methylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one is sourced from PubChem (CID 114681871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).