1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one

C17H33NO — CID 176977035

IUPAC1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)[C@]1(CCC)CCCN(CCC)C1
InChIInChI=1S/C17H33NO/c1-4-7-8-10-16(19)17(11-5-2)12-9-14-18(15-17)13-6-3/h4-15H2,1-3H3/t17-/m1/s1
InChIKeyLKXGGXOQLRDXLU-QGZVFWFLSA-N
MW267.46 g/mol
LogP4.43
Rot. Bonds9

About 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one

1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one (PubChem CID 176977035) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one.

Molecular Properties

Compound Name1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one
PubChem CID176977035
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one
SMILESCCCCCC(=O)[C@]1(CCC)CCCN(CCC)C1
InChIInChI=1S/C17H33NO/c1-4-7-8-10-16(19)17(11-5-2)12-9-14-18(15-17)13-6-3/h4-15H2,1-3H3/t17-/m1/s1
InChIKeyLKXGGXOQLRDXLU-QGZVFWFLSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-propyl-1-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxylic acid
CID 63140519
3-ethyl-1-nonylpiperidine-3-carboxylic acid
CID 63137490
1-(4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 83158038
1-(3-ethylsulfonylpropyl)-3-propylpiperidine-3-carboxylic acid
CID 65097732
1-(1-ethylcyclopentyl)heptan-1-one
CID 114966682
1-(3-propylpiperidin-3-yl)heptan-1-one
CID 116569742
1-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]-3-propylpiperidine-3-carboxylic acid
CID 63141204
1-(4-cyano-4-methylpentyl)-3-propylpiperidine-3-carboxylic acid
CID 65254707
1-[1-(aminomethyl)cyclohexyl]decan-1-one
CID 116600522
4-(3-methyl-3-propylpiperidin-1-yl)butanoic acid
CID 119139251
1-[4-(diethylamino)-4-oxobutyl]-3-propylpyrrolidine-3-carboxylic acid
CID 63148499
1-(cyclohexylmethyl)-3-propylpiperidine-3-carboxylic acid
CID 63140989

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one?
The IUPAC name of 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one (CID 176977035) is 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one.
What is the SMILES notation for 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one?
The canonical SMILES for 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one is CCCCCC(=O)[C@]1(CCC)CCCN(CCC)C1.
What is the InChIKey of 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one?
The InChIKey is LKXGGXOQLRDXLU-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-7-8-10-16(19)17(11-5-2)12-9-14-18(15-17)13-6-3/h4-15H2,1-3H3/t17-/m1/s1.
What are the key properties of 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one?
1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one has a molecular weight of 267.46 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1,3-dipropylpiperidin-3-yl]hexan-1-one is sourced from PubChem (CID 176977035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).