1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one

C12H24N2O — CID 114498267

IUPAC1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C12H24N2O/c1-4-5-6-12(15)14-8-7-11(13-3)10(2)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyVCDVQHAGSWTPOL-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one

1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one (PubChem CID 114498267) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one.

Molecular Properties

Compound Name1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
PubChem CID114498267
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one
SMILESCCCCC(=O)N1CCC(NC)C(C)C1
InChIInChI=1S/C12H24N2O/c1-4-5-6-12(15)14-8-7-11(13-3)10(2)9-14/h10-11,13H,4-9H2,1-3H3
InChIKeyVCDVQHAGSWTPOL-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-methyl-4-(methylamino)piperidin-1-yl]butan-1-one
CID 114498153
1-(3-methylpyrrolidin-1-yl)pentan-1-one
CID 68735226
2-ethyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]hexan-1-one
CID 114498212
2-methoxy-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 114498163
2-cyclobutyl-1-[3-methyl-4-(methylamino)piperidin-1-yl]ethanone
CID 103161329
(3S,4R)-3-methyl-4-(methylamino)piperidine-1-carboxylic acid
CID 66707575
N-ethyl-3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498760
3-methyl-4-(methylamino)piperidine-1-carboxamide
CID 114498750
N,3-dimethyl-4-(methylamino)piperidine-1-carboxamide
CID 114498742
1-(4-amino-3-methylpiperidin-1-yl)octan-1-one
CID 79880598
1-[(3R)-3-aminopyrrolidin-1-yl]pentan-1-one
CID 81469401
1-[4-(methylamino)piperidin-1-yl]hexan-1-one
CID 60818219

Frequently Asked Questions

What is the IUPAC name of 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one?
The IUPAC name of 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one (CID 114498267) is 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one.
What is the SMILES notation for 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one?
The canonical SMILES for 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one is CCCCC(=O)N1CCC(NC)C(C)C1.
What is the InChIKey of 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one?
The InChIKey is VCDVQHAGSWTPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-5-6-12(15)14-8-7-11(13-3)10(2)9-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one?
1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methyl-4-(methylamino)piperidin-1-yl]pentan-1-one is sourced from PubChem (CID 114498267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).