2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one

C17H31NO — CID 83062606

IUPAC2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCCC1CCCCN1CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H31NO/c1-4-8-15-10-5-6-12-18(15)13-14-9-7-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3
InChIKeyGZAZNLQCGKGMBH-UHFFFAOYSA-N
MW265.44 g/mol
LogP4.04
Rot. Bonds4

About 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one

2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one (PubChem CID 83062606) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
PubChem CID83062606
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one
SMILESCCCC1CCCCN1CC1CCCC(C)(C)C1=O
InChIInChI=1S/C17H31NO/c1-4-8-15-10-5-6-12-18(15)13-14-9-7-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3
InChIKeyGZAZNLQCGKGMBH-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one with MolForge

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Related Compounds

6-[(2-ethylazepan-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 104691903
6-[(2,3-dimethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852279
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852625
6-[(4,4-diethylpiperidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79852371
6-[(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 81098024
6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 79853340
2-(2-propylpiperidin-1-yl)acetaldehyde
CID 83056562
6-(3-azaspiro[5.5]undecan-3-ylmethyl)-2,2-dimethylcyclohexan-1-one
CID 79842196
2,2-dimethyl-5-(piperidin-1-ylmethyl)cyclopentan-1-one
CID 79866261
6-[(3-hydroxyazetidin-1-yl)methyl]-2,2-dimethylcyclohexan-1-one
CID 130892360
2-[(2-ethylazepan-1-yl)methyl]cyclohexan-1-one
CID 104691901
2-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]cyclohexan-1-one
CID 62616856

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one?
The IUPAC name of 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one (CID 83062606) is 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one is CCCC1CCCCN1CC1CCCC(C)(C)C1=O.
What is the InChIKey of 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one?
The InChIKey is GZAZNLQCGKGMBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO/c1-4-8-15-10-5-6-12-18(15)13-14-9-7-11-17(2,3)16(14)19/h14-15H,4-13H2,1-3H3.
What are the key properties of 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one?
2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one has a molecular weight of 265.44 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-6-[(2-propylpiperidin-1-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 83062606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).