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

C13H27ClN2O — CID 119396461

IUPAC1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
SMILESCCCCCC(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-4-5-8-13(16)15-9-6-7-12(11-15)10-14-2;/h12,14H,3-11H2,1-2H3;1H
InChIKeyLIRTZPMNKRQTSX-UHFFFAOYSA-N
MW262.82 g/mol
LogP2.45
Rot. Bonds6

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

1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride (PubChem CID 119396461) has the molecular formula C13H27ClN2O and a molecular weight of 262.82 g/mol. Its IUPAC name is 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
PubChem CID119396461
Molecular FormulaC13H27ClN2O
Molecular Weight262.82 g/mol
Exact Mass262.18
IUPAC Name1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride
SMILESCCCCCC(=O)N1CCCC(CNC)C1.Cl
InChIInChI=1S/C13H26N2O.ClH/c1-3-4-5-8-13(16)15-9-6-7-12(11-15)10-14-2;/h12,14H,3-11H2,1-2H3;1H
InChIKeyLIRTZPMNKRQTSX-UHFFFAOYSA-N
XLogP2.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(methylaminomethyl)piperidin-1-yl]-3-sulfanylpropan-1-one
CID 107024102
1-heptanoyl-3-[(sulfamoylamino)methyl]piperidine
CID 115642411
3-methoxy-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119395545
2-cyclopropyl-1-[3-(methylaminomethyl)piperidin-1-yl]ethanone;hydrochloride
CID 119398117
1-[3-(2-hydroxyethyl)piperidin-1-yl]heptan-1-one
CID 62356771
1-[3-(2-bromoethyl)piperidin-1-yl]decan-1-one
CID 80669729
3-methyl-1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one
CID 119396913
3-cyclopentylsulfonyl-1-[3-(methylaminomethyl)piperidin-1-yl]propan-1-one;hydrochloride
CID 119398208
4-(4-methoxyphenoxy)-1-[3-(methylaminomethyl)piperidin-1-yl]butan-1-one;hydrochloride
CID 119394876
1-[3-(methylaminomethyl)piperidin-1-yl]-4-phenoxybutan-1-one
CID 119394761
N-[4-[3-(methylaminomethyl)piperidin-1-yl]-4-oxobutyl]benzamide;hydrochloride
CID 119398775
1-[(3S)-3-hydroxypiperidin-1-yl]decan-1-one
CID 94842553

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride?
The IUPAC name of 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride (CID 119396461) is 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride is CCCCCC(=O)N1CCCC(CNC)C1.Cl.
What is the InChIKey of 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride?
The InChIKey is LIRTZPMNKRQTSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O.ClH/c1-3-4-5-8-13(16)15-9-6-7-12(11-15)10-14-2;/h12,14H,3-11H2,1-2H3;1H.
What are the key properties of 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride?
1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride has a molecular weight of 262.82 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylaminomethyl)piperidin-1-yl]hexan-1-one;hydrochloride is sourced from PubChem (CID 119396461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).