1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride

C12H25ClN2O2 — CID 119593481

IUPAC1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
SMILESCOCCCC(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)11-5-3-7-14(9-11)12(15)6-4-8-16-2;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyWFHPVFFUJISZCS-UHFFFAOYSA-N
MW264.80 g/mol
LogP1.42
Rot. Bonds5

About 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride

1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride (PubChem CID 119593481) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
PubChem CID119593481
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Name1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
SMILESCOCCCC(=O)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-10(13)11-5-3-7-14(9-11)12(15)6-4-8-16-2;/h10-11H,3-9,13H2,1-2H3;1H
InChIKeyWFHPVFFUJISZCS-UHFFFAOYSA-N
XLogP1.42
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[1-(4-methoxybutanoyl)piperidin-3-yl]butanoic acid
CID 81046195
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
1-[3-(1-aminoethyl)piperidin-1-yl]-4-(4-fluorophenoxy)butan-1-one
CID 119593930
1-[3-(1-aminoethyl)piperidin-1-yl]-3-butylsulfanylpropan-1-one;hydrochloride
CID 119596848
methyl (3S)-3-[(1R)-1-aminoethyl]piperidine-1-carboxylate
CID 95320381
1-[3-(1-aminoethyl)piperidin-1-yl]-5-(3-methylphenoxy)pentan-1-one
CID 119594107
1-(3-hydroxypiperidin-1-yl)-5-methoxypentan-1-one
CID 110909883
1-[3-(1-aminoethyl)piperidin-1-yl]-3,4-dimethylpentan-1-one
CID 119596793
N-[3-[3-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]-2,2-dimethylpropanamide;hydrochloride
CID 119593332
N-[4-[3-(1-aminoethyl)piperidin-1-yl]-4-oxobutyl]-4-fluorobenzamide;hydrochloride
CID 119593706
1-[3-(1-aminoethyl)piperidin-1-yl]-3-(4-chlorophenyl)sulfanylpropan-1-one;hydrochloride
CID 119594372
1-[3-(1-aminoethyl)piperidin-1-yl]-2-ethylsulfonylethanone
CID 119595149

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride?
The IUPAC name of 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride (CID 119593481) is 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride is COCCCC(=O)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride?
The InChIKey is WFHPVFFUJISZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-10(13)11-5-3-7-14(9-11)12(15)6-4-8-16-2;/h10-11H,3-9,13H2,1-2H3;1H.
What are the key properties of 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride?
1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-aminoethyl)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride is sourced from PubChem (CID 119593481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).