2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one

C15H29NO — CID 155706991

IUPAC2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
SMILESCC(C)C(=O)CCCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-12(2)14-7-10-16(11-8-14)9-5-6-15(17)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFCPHEWJQEMBKMJ-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one (PubChem CID 155706991) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
PubChem CID155706991
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one
SMILESCC(C)C(=O)CCCN1CCC(C(C)C)CC1
InChIInChI=1S/C15H29NO/c1-12(2)14-7-10-16(11-8-14)9-5-6-15(17)13(3)4/h12-14H,5-11H2,1-4H3
InChIKeyFCPHEWJQEMBKMJ-UHFFFAOYSA-N
XLogP3.36
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-(4-propan-2-ylpiperidin-1-yl)heptan-2-one
CID 155402306
1-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]propan-1-one
CID 169188679
6-(4-propan-2-ylpiperidin-1-yl)hexan-1-ol
CID 103738002
4-(4-propan-2-ylpiperidin-1-yl)butan-2-one
CID 57238765
3-methyl-1-[2-[2-(4-propan-2-ylpiperidin-1-yl)ethoxy]ethoxy]butan-2-one
CID 170541307
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298
1-decyl-4-propan-2-ylpiperidine
CID 166461232
1-(4-hydroxypiperidin-1-yl)-5-methylheptan-4-one
CID 123734816
(4-propan-2-ylpiperidin-1-yl)-[4-[3-(4-propan-2-ylpiperidin-1-yl)propyl]piperazin-1-yl]methanone
CID 167480116
ethane;6-(9-ethyl-3,9-diazaspiro[5.5]undecan-3-yl)-2-methylhexan-3-one
CID 169158348
1-(4-propan-2-ylpiperidin-1-yl)-4-[(3R)-3-propan-2-ylpyrrolidin-1-yl]butan-1-one
CID 167479469
1-methyl-4-[5-(4-propan-2-ylpiperidin-1-yl)pentyl]piperazine
CID 163269266

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one?
The IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one (CID 155706991) is 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one is CC(C)C(=O)CCCN1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one?
The InChIKey is FCPHEWJQEMBKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(2)14-7-10-16(11-8-14)9-5-6-15(17)13(3)4/h12-14H,5-11H2,1-4H3.
What are the key properties of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one?
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)hexan-3-one is sourced from PubChem (CID 155706991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).