2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one

C14H27NO — CID 115325870

IUPAC2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
SMILESCC(C)CCCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C14H27NO/c1-11(2)7-5-6-9-15-10-8-14(16)12(3)13(15)4/h11-13H,5-10H2,1-4H3
InChIKeyJUYWVKPGKBBFHZ-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.11
Rot. Bonds5

About 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one

2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one (PubChem CID 115325870) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
PubChem CID115325870
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one
SMILESCC(C)CCCCN1CCC(=O)C(C)C1C
InChIInChI=1S/C14H27NO/c1-11(2)7-5-6-9-15-10-8-14(16)12(3)13(15)4/h11-13H,5-10H2,1-4H3
InChIKeyJUYWVKPGKBBFHZ-UHFFFAOYSA-N
XLogP3.11
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.11
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

2,3-dimethyl-1-(3,3,3-trifluoropropyl)piperidin-4-one
CID 79406296
2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
CID 83156297
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
CID 79396945
2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
CID 104591595
2,3-dimethyl-1-(2-prop-2-ynylsulfanylethyl)piperidin-4-one
CID 106429760
N,2,3-trimethyl-1-(5-methylhexyl)piperidin-4-amine
CID 113287541
2,3-dimethyl-1-[2-(2-methylprop-2-enoxy)ethyl]piperidin-4-one
CID 114468047
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
1-decyl-2-methylpyrrolidin-3-one
CID 175583922
1-(5-methylhexyl)pyrrolidine-2,3-dione
CID 115325851
1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 106899928
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one?
The IUPAC name of 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one (CID 115325870) is 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one.
What is the SMILES notation for 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one?
The canonical SMILES for 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one is CC(C)CCCCN1CCC(=O)C(C)C1C.
What is the InChIKey of 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one?
The InChIKey is JUYWVKPGKBBFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)7-5-6-9-15-10-8-14(16)12(3)13(15)4/h11-13H,5-10H2,1-4H3.
What are the key properties of 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one?
2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one has a molecular weight of 225.38 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-1-(5-methylhexyl)piperidin-4-one is sourced from PubChem (CID 115325870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).