1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride

C11H23ClN2O2 — CID 119465088

IUPAC1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
SMILESCCOC(C)C(=O)N1CCCC(CN)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-15-9(2)11(14)13-6-4-5-10(7-12)8-13;/h9-10H,3-8,12H2,1-2H3;1H
InChIKeyTWPGTKZSHMISFM-UHFFFAOYSA-N
MW250.77 g/mol
LogP1.03
Rot. Bonds4

About 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride

1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride (PubChem CID 119465088) has the molecular formula C11H23ClN2O2 and a molecular weight of 250.77 g/mol. Its IUPAC name is 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
PubChem CID119465088
Molecular FormulaC11H23ClN2O2
Molecular Weight250.77 g/mol
Exact Mass250.14
IUPAC Name1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride
SMILESCCOC(C)C(=O)N1CCCC(CN)C1.Cl
InChIInChI=1S/C11H22N2O2.ClH/c1-3-15-9(2)11(14)13-6-4-5-10(7-12)8-13;/h9-10H,3-8,12H2,1-2H3;1H
InChIKeyTWPGTKZSHMISFM-UHFFFAOYSA-N
XLogP1.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-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

3-[(3S)-1-[(2R)-2-ethoxypropanoyl]piperidin-3-yl]propanoic acid
CID 124683470
2-ethoxy-1-(3-ethoxypiperidin-1-yl)propan-1-one
CID 86843747
1-[3-(aminomethyl)piperidin-1-yl]-2-propan-2-yloxyethanone
CID 112701233
ethyl 2-[3-(aminomethyl)piperidin-1-yl]-2-oxoacetate
CID 117126470
(2R)-2-amino-1-[(3R)-3-(ethoxymethyl)piperidin-1-yl]propan-1-one
CID 129393445
1-[3-(aminomethyl)piperidin-1-yl]-2-(3-chlorophenoxy)propan-1-one;hydrochloride
CID 119464933
N-[(3R)-1-[(2S)-2-ethoxypropanoyl]piperidin-3-yl]methanesulfonamide
CID 95133875
3-(aminomethyl)piperidine-1-carboxamide;hydrochloride
CID 119031368
(2R)-2-amino-1-[(3R)-3-(fluoromethyl)piperidin-1-yl]propan-1-one
CID 129495721
3-(aminomethyl)-N-ethyl-N-methylpiperidine-1-carboxamide
CID 79159626
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-cyclohexyl-2-methylpropan-1-one;hydrochloride
CID 119485730

Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride?
The IUPAC name of 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride (CID 119465088) is 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride.
What is the SMILES notation for 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride?
The canonical SMILES for 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride is CCOC(C)C(=O)N1CCCC(CN)C1.Cl.
What is the InChIKey of 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride?
The InChIKey is TWPGTKZSHMISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2.ClH/c1-3-15-9(2)11(14)13-6-4-5-10(7-12)8-13;/h9-10H,3-8,12H2,1-2H3;1H.
What are the key properties of 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride?
1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride has a molecular weight of 250.77 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)piperidin-1-yl]-2-ethoxypropan-1-one;hydrochloride is sourced from PubChem (CID 119465088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).