1-(2-methylpiperidin-4-yl)propan-1-one

C9H17NO — CID 165461766

IUPAC1-(2-methylpiperidin-4-yl)propan-1-one
SMILESCCC(=O)C1CCNC(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-4-5-10-7(2)6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyYGAOEYXNMXXONL-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.35
Rot. Bonds2

About 1-(2-methylpiperidin-4-yl)propan-1-one

1-(2-methylpiperidin-4-yl)propan-1-one (PubChem CID 165461766) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-(2-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-methylpiperidin-4-yl)propan-1-one
PubChem CID165461766
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-(2-methylpiperidin-4-yl)propan-1-one
SMILESCCC(=O)C1CCNC(C)C1
InChIInChI=1S/C9H17NO/c1-3-9(11)8-4-5-10-7(2)6-8/h7-8,10H,3-6H2,1-2H3
InChIKeyYGAOEYXNMXXONL-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-piperidin-4-ylpropan-1-one;hydroiodide
CID 142277928
(2S,4S)-N-cyclopropyl-2-methyl-N-propylpiperidine-4-carboxamide
CID 120635725
butyl 2-methylpiperidine-4-carboxylate
CID 106743768
methyl 2-methylpiperidine-4-carboxylate;hydrochloride
CID 121333420
(2S,4S)-N-butan-2-yl-N,2-dimethylpiperidine-4-carboxamide;hydrochloride
CID 120624137
N-cyclohexyl-N-ethyl-2-methylpiperidine-4-carboxamide
CID 106738612
N-(2-ethylcyclopropyl)-2-methylpiperidine-4-carboxamide
CID 106832165
N-(2-hydroxyethyl)-2-methylpiperidine-4-carboxamide
CID 106738732
2-methyl-N-prop-2-ynylpiperidine-4-carboxamide
CID 106738666
2-methyl-N-propan-2-yl-N-propylpiperidine-4-carboxamide
CID 106738743
N-butyl-N-cyclopropyl-2-methylpiperidine-4-carboxamide
CID 106739366
N-(cyanomethyl)-2-methylpiperidine-4-carboxamide
CID 106739785

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 1-(2-methylpiperidin-4-yl)propan-1-one (CID 165461766) is 1-(2-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 1-(2-methylpiperidin-4-yl)propan-1-one is CCC(=O)C1CCNC(C)C1.
What is the InChIKey of 1-(2-methylpiperidin-4-yl)propan-1-one?
The InChIKey is YGAOEYXNMXXONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-9(11)8-4-5-10-7(2)6-8/h7-8,10H,3-6H2,1-2H3.
What are the key properties of 1-(2-methylpiperidin-4-yl)propan-1-one?
1-(2-methylpiperidin-4-yl)propan-1-one has a molecular weight of 155.24 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 165461766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).