2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one

C17H31NO — CID 62612514

IUPAC2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-5-15-6-7-17(19)16(9-15)12-18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyKRIRTVOZRQIEHU-UHFFFAOYSA-N
MW265.44 g/mol
LogP3.75
Rot. Bonds4

About 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one

2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one (PubChem CID 62612514) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one.

Molecular Properties

Compound Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
PubChem CID62612514
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one
SMILESCCCC1CCC(=O)C(CN2CC(C)CC(C)C2)C1
InChIInChI=1S/C17H31NO/c1-4-5-15-6-7-17(19)16(9-15)12-18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3
InChIKeyKRIRTVOZRQIEHU-UHFFFAOYSA-N
XLogP3.75
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The IUPAC name of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one (CID 62612514) is 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one.
What is the SMILES notation for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The canonical SMILES for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one is CCCC1CCC(=O)C(CN2CC(C)CC(C)C2)C1.
What is the InChIKey of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
The InChIKey is KRIRTVOZRQIEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-5-15-6-7-17(19)16(9-15)12-18-10-13(2)8-14(3)11-18/h13-16H,4-12H2,1-3H3.
What are the key properties of 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one?
2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethylpiperidin-1-yl)methyl]-4-propylcyclohexan-1-one is sourced from PubChem (CID 62612514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).