1-(3-propylpiperidin-3-yl)heptan-1-one

C15H29NO — CID 116569742

IUPAC1-(3-propylpiperidin-3-yl)heptan-1-one
SMILESCCCCCCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-9-14(17)15(10-4-2)11-8-12-16-13-15/h16H,3-13H2,1-2H3
InChIKeyUSHARKRTIHXKRT-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.70
Rot. Bonds8

About 1-(3-propylpiperidin-3-yl)heptan-1-one

1-(3-propylpiperidin-3-yl)heptan-1-one (PubChem CID 116569742) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(3-propylpiperidin-3-yl)heptan-1-one.

Molecular Properties

Compound Name1-(3-propylpiperidin-3-yl)heptan-1-one
PubChem CID116569742
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(3-propylpiperidin-3-yl)heptan-1-one
SMILESCCCCCCC(=O)C1(CCC)CCCNC1
InChIInChI=1S/C15H29NO/c1-3-5-6-7-9-14(17)15(10-4-2)11-8-12-16-13-15/h16H,3-13H2,1-2H3
InChIKeyUSHARKRTIHXKRT-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(3-ethylpyrrolidin-3-yl)nonan-1-one
CID 116570178
1-(3-propylpiperidin-3-yl)-3-propylsulfonylpropan-1-one
CID 106736401
1-(3-methylpiperidin-3-yl)heptan-1-one
CID 116569464
1-(3-propylpiperidin-3-yl)but-3-yn-1-one
CID 116569591
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
2-propoxy-1-(3-propylpiperidin-3-yl)ethanone
CID 116569758
3-methyl-1-(3-propylpiperidin-3-yl)hexan-1-one
CID 116569712
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
chloroethane;3-propylpiperidine-3-carboxylic acid
CID 158782961
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
1-(4-ethylpiperidin-4-yl)octan-1-one
CID 116567975

Frequently Asked Questions

What is the IUPAC name of 1-(3-propylpiperidin-3-yl)heptan-1-one?
The IUPAC name of 1-(3-propylpiperidin-3-yl)heptan-1-one (CID 116569742) is 1-(3-propylpiperidin-3-yl)heptan-1-one.
What is the SMILES notation for 1-(3-propylpiperidin-3-yl)heptan-1-one?
The canonical SMILES for 1-(3-propylpiperidin-3-yl)heptan-1-one is CCCCCCC(=O)C1(CCC)CCCNC1.
What is the InChIKey of 1-(3-propylpiperidin-3-yl)heptan-1-one?
The InChIKey is USHARKRTIHXKRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-6-7-9-14(17)15(10-4-2)11-8-12-16-13-15/h16H,3-13H2,1-2H3.
What are the key properties of 1-(3-propylpiperidin-3-yl)heptan-1-one?
1-(3-propylpiperidin-3-yl)heptan-1-one has a molecular weight of 239.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propylpiperidin-3-yl)heptan-1-one is sourced from PubChem (CID 116569742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).