4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one

C15H30N2O — CID 90894414

IUPAC4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
SMILESCC1CCNCC1.CCC(=O)C1(C)CCNCC1
InChIInChI=1S/C9H17NO.C6H13N/c1-3-8(11)9(2)4-6-10-7-5-9;1-6-2-4-7-5-3-6/h10H,3-7H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyODGIRUBALBUWGW-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.36
Rot. Bonds2

About 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one

4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one (PubChem CID 90894414) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one.

Molecular Properties

Compound Name4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
PubChem CID90894414
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
SMILESCC1CCNCC1.CCC(=O)C1(C)CCNCC1
InChIInChI=1S/C9H17NO.C6H13N/c1-3-8(11)9(2)4-6-10-7-5-9;1-6-2-4-7-5-3-6/h10H,3-7H2,1-2H3;6-7H,2-5H2,1H3
InChIKeyODGIRUBALBUWGW-UHFFFAOYSA-N
XLogP2.36
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methylpiperidine-4-carboxamide
CID 65119685
1-(4-methylpiperidin-4-yl)pentan-1-one
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4-methylpiperidine;nitroxyl
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N-(3-ethyl-2-methylcyclopentyl)-4-methylpiperidine-4-carboxamide
CID 64922757
(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
ethene;4-methylpiperidine
CID 143316942
cyclopentane;4-methylpiperidine
CID 143138909
(3,5-dimethylpiperidin-1-yl)-(4-methylpiperidin-4-yl)methanone
CID 63121475
2-amino-1-(1,4-dimethylcyclohexyl)ethanone
CID 70477833
N-[2-(cyclopropylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
CID 63121384
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
4-ethyl-N-methyl-N-(4-methylcyclohexyl)piperidine-4-carboxamide
CID 63128518

Frequently Asked Questions

What is the IUPAC name of 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one?
The IUPAC name of 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one (CID 90894414) is 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one.
What is the SMILES notation for 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one?
The canonical SMILES for 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one is CC1CCNCC1.CCC(=O)C1(C)CCNCC1.
What is the InChIKey of 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one?
The InChIKey is ODGIRUBALBUWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.C6H13N/c1-3-8(11)9(2)4-6-10-7-5-9;1-6-2-4-7-5-3-6/h10H,3-7H2,1-2H3;6-7H,2-5H2,1H3.
What are the key properties of 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one?
4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one is sourced from PubChem (CID 90894414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).