3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one

C15H29NO — CID 116569712

IUPAC3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
SMILESCCCC(C)CC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H29NO/c1-4-7-13(3)11-14(17)15(8-5-2)9-6-10-16-12-15/h13,16H,4-12H2,1-3H3
InChIKeyLBAIYRCPJBNKCY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.55
Rot. Bonds7

About 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one

3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one (PubChem CID 116569712) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
PubChem CID116569712
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
SMILESCCCC(C)CC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H29NO/c1-4-7-13(3)11-14(17)15(8-5-2)9-6-10-16-12-15/h13,16H,4-12H2,1-3H3
InChIKeyLBAIYRCPJBNKCY-UHFFFAOYSA-N
XLogP3.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
N-ethyl-N-(2-methylbutyl)-3-propylpiperidine-3-carboxamide
CID 79470746
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
N-methyl-N-propan-2-yl-3-propylpiperidine-3-carboxamide
CID 63132392
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
N-(3-hydroxybutyl)-3-propylpiperidine-3-carboxamide
CID 64913722
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736401
(4-methylcyclohexyl)-(3-propylpiperidin-3-yl)methanone
CID 116569810
N-(4-hydroxypentan-2-yl)-3-propylpiperidine-3-carboxamide
CID 113376268
1-(2-ethylpyrrolidin-2-yl)-3-methylhexan-1-one
CID 116608171

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one?
The IUPAC name of 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one (CID 116569712) is 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one.
What is the SMILES notation for 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one?
The canonical SMILES for 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one is CCCC(C)CC(=O)C1(CCC)CCCNC1.
What is the InChIKey of 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one?
The InChIKey is LBAIYRCPJBNKCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-7-13(3)11-14(17)15(8-5-2)9-6-10-16-12-15/h13,16H,4-12H2,1-3H3.
What are the key properties of 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one?
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one is sourced from PubChem (CID 116569712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).