6,8-dimethyl-2-piperidin-3-ylnonan-4-one

C16H31NO — CID 114201596

IUPAC6,8-dimethyl-2-piperidin-3-ylnonan-4-one
SMILESCC(C)CC(C)CC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H31NO/c1-12(2)8-13(3)9-16(18)10-14(4)15-6-5-7-17-11-15/h12-15,17H,5-11H2,1-4H3
InChIKeyMHTFATLQKUWTGP-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.65
Rot. Bonds7

About 6,8-dimethyl-2-piperidin-3-ylnonan-4-one

6,8-dimethyl-2-piperidin-3-ylnonan-4-one (PubChem CID 114201596) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 6,8-dimethyl-2-piperidin-3-ylnonan-4-one.

Molecular Properties

Compound Name6,8-dimethyl-2-piperidin-3-ylnonan-4-one
PubChem CID114201596
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name6,8-dimethyl-2-piperidin-3-ylnonan-4-one
SMILESCC(C)CC(C)CC(=O)CC(C)C1CCCNC1
InChIInChI=1S/C16H31NO/c1-12(2)8-13(3)9-16(18)10-14(4)15-6-5-7-17-11-15/h12-15,17H,5-11H2,1-4H3
InChIKeyMHTFATLQKUWTGP-UHFFFAOYSA-N
XLogP3.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-4-piperidin-3-ylpentan-2-one
CID 116594382
3-piperidin-3-ylbutanoic acid
CID 71691534
(3S)-3-[(3S)-piperidin-3-yl]butanoic acid
CID 95732451
5-piperidin-3-ylhex-1-yn-3-one
CID 116594360
N-methyl-N-(2-methylpropyl)-3-piperidin-3-ylbutanamide
CID 81043828
2-piperidin-3-ylnon-8-en-4-one
CID 116594394
1-(2-methyltetrazol-5-yl)-4-piperidin-3-ylpentan-2-one
CID 107062305
N-(2-methylbutyl)-3-piperidin-3-ylbutanamide
CID 81043770
4-piperidin-3-yl-1-(4-propan-2-ylphenyl)pentan-2-one
CID 116594441
3-piperidin-3-yl-N,N-dipropylbutanamide
CID 81043811
1-(2,6-dimethylpiperidin-1-yl)-3-piperidin-3-ylbutan-1-one
CID 81044719
N-(2-bromoprop-2-enyl)-3-piperidin-3-ylbutanamide
CID 115738676

Frequently Asked Questions

What is the IUPAC name of 6,8-dimethyl-2-piperidin-3-ylnonan-4-one?
The IUPAC name of 6,8-dimethyl-2-piperidin-3-ylnonan-4-one (CID 114201596) is 6,8-dimethyl-2-piperidin-3-ylnonan-4-one.
What is the SMILES notation for 6,8-dimethyl-2-piperidin-3-ylnonan-4-one?
The canonical SMILES for 6,8-dimethyl-2-piperidin-3-ylnonan-4-one is CC(C)CC(C)CC(=O)CC(C)C1CCCNC1.
What is the InChIKey of 6,8-dimethyl-2-piperidin-3-ylnonan-4-one?
The InChIKey is MHTFATLQKUWTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(2)8-13(3)9-16(18)10-14(4)15-6-5-7-17-11-15/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 6,8-dimethyl-2-piperidin-3-ylnonan-4-one?
6,8-dimethyl-2-piperidin-3-ylnonan-4-one has a molecular weight of 253.43 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dimethyl-2-piperidin-3-ylnonan-4-one is sourced from PubChem (CID 114201596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).