2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one

C14H27NO — CID 123881248

IUPAC2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCCCC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-14(4,5)13(16)15-9-7-6-8-12(15)3/h11-12H,6-10H2,1-5H3
InChIKeyVGKIJAGFTCPQSS-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.46
Rot. Bonds3

About 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one

2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one (PubChem CID 123881248) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one
PubChem CID123881248
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one
SMILESCC(C)CC(C)(C)C(=O)N1CCCCC1C
InChIInChI=1S/C14H27NO/c1-11(2)10-14(4,5)13(16)15-9-7-6-8-12(15)3/h11-12H,6-10H2,1-5H3
InChIKeyVGKIJAGFTCPQSS-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-hydroxy-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 103429254
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
2-amino-2-cyclopropyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 60866949
2-hydroxy-1-(2-methylpiperidin-1-yl)propan-1-one
CID 86060636
1-(2-methylazepan-1-yl)-2-propan-2-yloxyethanone
CID 112691040
2-amino-3,3,3-trifluoro-2-methyl-1-(2-methylazepan-1-yl)propan-1-one
CID 79811691
2,2-dimethyl-3-[(2R)-2-methylpyrrolidin-1-yl]-3-oxopropanoic acid
CID 90327802
2-(aminomethyl)-2-ethyl-1-(2-methylpiperidin-1-yl)butan-1-one;hydrochloride
CID 120607933
N-butan-2-yl-2-(2-methylpiperidin-1-yl)-2-oxoacetamide
CID 108505442
N'-hydroxy-2-methyl-2-(2-methylpiperidine-1-carbonyl)butanimidamide
CID 114292490
tert-butyl 2-methylpiperidine-1-carboxylate;ethane
CID 153328823
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116

Frequently Asked Questions

What is the IUPAC name of 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one?
The IUPAC name of 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one (CID 123881248) is 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one.
What is the SMILES notation for 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one?
The canonical SMILES for 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one is CC(C)CC(C)(C)C(=O)N1CCCCC1C.
What is the InChIKey of 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one?
The InChIKey is VGKIJAGFTCPQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11(2)10-14(4,5)13(16)15-9-7-6-8-12(15)3/h11-12H,6-10H2,1-5H3.
What are the key properties of 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one?
2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one has a molecular weight of 225.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4-trimethyl-1-(2-methylpiperidin-1-yl)pentan-1-one is sourced from PubChem (CID 123881248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).