1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

C17H31NO — CID 58533004

IUPAC1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCCN1CC1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)16(19)15-11-7-8-12-18(15)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3
InChIKeyCQTSPQGBVXXGCU-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one

1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 58533004) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID58533004
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)C1CCCCN1CC1CCCCC1
InChIInChI=1S/C17H31NO/c1-17(2,3)16(19)15-11-7-8-12-18(15)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3
InChIKeyCQTSPQGBVXXGCU-UHFFFAOYSA-N
XLogP4.04
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one (CID 58533004) is 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)C1CCCCN1CC1CCCCC1.
What is the InChIKey of 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is CQTSPQGBVXXGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-17(2,3)16(19)15-11-7-8-12-18(15)13-14-9-5-4-6-10-14/h14-15H,4-13H2,1-3H3.
What are the key properties of 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one?
1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclohexylmethyl)piperidin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 58533004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).