3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one

C15H30N2O — CID 119397824

IUPAC3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
SMILESCNCC1CCCN(C(=O)CC(C)CC(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)8-13(3)9-15(18)17-7-5-6-14(11-17)10-16-4/h12-14,16H,5-11H2,1-4H3
InChIKeyYNVWNWXEIONUKP-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.52
Rot. Bonds6

About 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one

3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one (PubChem CID 119397824) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
PubChem CID119397824
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
SMILESCNCC1CCCN(C(=O)CC(C)CC(C)C)C1
InChIInChI=1S/C15H30N2O/c1-12(2)8-13(3)9-15(18)17-7-5-6-14(11-17)10-16-4/h12-14,16H,5-11H2,1-4H3
InChIKeyYNVWNWXEIONUKP-UHFFFAOYSA-N
XLogP2.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone;hydrochloride
CID 119397784
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutan-2-yl]cyclohexanecarboxamide;hydrochloride
CID 119395625
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
1-[3-(methylaminomethyl)piperidin-1-yl]-2-sulfanylpropan-1-one
CID 107024099
3,5-dimethyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]hexan-1-one
CID 119651206
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one (CID 119397824) is 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one is CNCC1CCCN(C(=O)CC(C)CC(C)C)C1.
What is the InChIKey of 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is YNVWNWXEIONUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-12(2)8-13(3)9-15(18)17-7-5-6-14(11-17)10-16-4/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 254.42 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 119397824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).