3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one

C14H28N2O — CID 119396913

IUPAC3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC(C)CC(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H28N2O/c1-4-6-12(2)9-14(17)16-8-5-7-13(11-16)10-15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyOLRBWFIYWFQOKX-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.27
Rot. Bonds6

About 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one

3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one (PubChem CID 119396913) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one.

Molecular Properties

Compound Name3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
PubChem CID119396913
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
SMILESCCCC(C)CC(=O)N1CCCC(CNC)C1
InChIInChI=1S/C14H28N2O/c1-4-6-12(2)9-14(17)16-8-5-7-13(11-16)10-15-3/h12-13,15H,4-11H2,1-3H3
InChIKeyOLRBWFIYWFQOKX-UHFFFAOYSA-N
XLogP2.27
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,5-dimethyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119397824
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
CID 119396461
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
3-methyl-1-[4-(methylaminomethyl)piperidin-1-yl]pentan-1-one
CID 114875598
1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
1-[3-(methylaminomethyl)piperidin-1-yl]-2-sulfanylpropan-1-one
CID 107024099
1-(4-amino-3-methylbutanoyl)-3-[(sulfamoylamino)methyl]piperidine
CID 81086812
1-[3-(methylaminomethyl)piperidin-1-yl]-2-(3-methylbutylsulfanyl)ethanone;hydrochloride
CID 119397784
(2R)-2-[[3-(methylaminomethyl)piperidine-1-carbonyl]amino]pentanoic acid
CID 107566360
3-(methylaminomethyl)piperidine-1-carboxamide
CID 61204552
3,3,3-trifluoro-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one
CID 61206563

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The IUPAC name of 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one (CID 119396913) is 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one.
What is the SMILES notation for 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The canonical SMILES for 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one is CCCC(C)CC(=O)N1CCCC(CNC)C1.
What is the InChIKey of 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
The InChIKey is OLRBWFIYWFQOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-4-6-12(2)9-14(17)16-8-5-7-13(11-16)10-15-3/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one?
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one is sourced from PubChem (CID 119396913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).