1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride

C12H24Cl2N2O — CID 119493166

IUPAC1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
SMILESC=CCCCC(=O)N1CCCC(NC)C1.Cl.Cl
InChIInChI=1S/C12H22N2O.2ClH/c1-3-4-5-8-12(15)14-9-6-7-11(10-14)13-2;;/h3,11,13H,1,4-10H2,2H3;2*1H
InChIKeyRERIHPDXYGNBHI-UHFFFAOYSA-N
MW283.24 g/mol
LogP2.40
Rot. Bonds5

About 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride

1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride (PubChem CID 119493166) has the molecular formula C12H24Cl2N2O and a molecular weight of 283.24 g/mol. Its IUPAC name is 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride.

Molecular Properties

Compound Name1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
PubChem CID119493166
Molecular FormulaC12H24Cl2N2O
Molecular Weight283.24 g/mol
Exact Mass282.13
IUPAC Name1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride
SMILESC=CCCCC(=O)N1CCCC(NC)C1.Cl.Cl
InChIInChI=1S/C12H22N2O.2ClH/c1-3-4-5-8-12(15)14-9-6-7-11(10-14)13-2;;/h3,11,13H,1,4-10H2,2H3;2*1H
InChIKeyRERIHPDXYGNBHI-UHFFFAOYSA-N
XLogP2.40
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride 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

3-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119260323
1-[3-(methylamino)piperidin-1-yl]-4-morpholin-4-ylbutane-1,4-dione;hydrochloride
CID 119493333
1-[(3S)-3-(methylamino)piperidin-1-yl]propan-1-one
CID 94475711
2-chloro-1-[(3R)-3-(methylamino)piperidin-1-yl]ethanone
CID 58168404
3-(1-acetylpiperidin-4-yl)-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119492272
4-(4-methoxyphenoxy)-1-[3-(methylamino)piperidin-1-yl]butan-1-one;hydrochloride
CID 119487644
2-cyclopentyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119260330
2-cyclobutyl-1-[3-(methylamino)piperidin-1-yl]ethanone;hydrochloride
CID 119488548
1-[3-(methylamino)piperidin-1-yl]-2-prop-2-enylpent-4-en-1-one
CID 119489018
1-[3-[3-(methylamino)piperidine-1-carbonyl]piperidin-1-yl]butan-1-one;hydrochloride
CID 119492016
3,3,3-trifluoro-1-[3-(methylamino)piperidin-1-yl]propan-1-one;hydrochloride
CID 119490768
5-(4-bromophenoxy)-1-[3-(methylamino)piperidin-1-yl]pentan-1-one;hydrochloride
CID 119488002

Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride?
The IUPAC name of 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride (CID 119493166) is 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride.
What is the SMILES notation for 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride?
The canonical SMILES for 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride is C=CCCCC(=O)N1CCCC(NC)C1.Cl.Cl.
What is the InChIKey of 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride?
The InChIKey is RERIHPDXYGNBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O.2ClH/c1-3-4-5-8-12(15)14-9-6-7-11(10-14)13-2;;/h3,11,13H,1,4-10H2,2H3;2*1H.
What are the key properties of 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride?
1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride has a molecular weight of 283.24 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(methylamino)piperidin-1-yl]hex-5-en-1-one;dihydrochloride is sourced from PubChem (CID 119493166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).