1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride

C8H17ClN2O — CID 71757060

IUPAC1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6-5-10(7(2)11)4-3-8(6)9;/h6,8H,3-5,9H2,1-2H3;1H
InChIKeyZCKLQZZIOMRCHF-UHFFFAOYSA-N
MW192.69 g/mol
LogP0.62
Rot. Bonds

About 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride

1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride (PubChem CID 71757060) has the molecular formula C8H17ClN2O and a molecular weight of 192.69 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
PubChem CID71757060
Molecular FormulaC8H17ClN2O
Molecular Weight192.69 g/mol
Exact Mass192.10
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride
SMILESCC(=O)N1CCC(N)C(C)C1.Cl
InChIInChI=1S/C8H16N2O.ClH/c1-6-5-10(7(2)11)4-3-8(6)9;/h6,8H,3-5,9H2,1-2H3;1H
InChIKeyZCKLQZZIOMRCHF-UHFFFAOYSA-N
XLogP0.62
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.69
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-4-amino-3-methylpiperidine-1-carboxylic acid
CID 146402119
1-(3-amino-4-methylpyrrolidin-1-yl)ethanone
CID 82594406
1-[(3R)-3-aminopyrrolidin-1-yl]ethanone;dihydrochloride
CID 154577426
tert-butyl (3S,4R)-4-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 121229157
(4-amino-3-methylpiperidin-1-yl)-cyclobutylmethanone
CID 79867706
1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]ethanone
CID 129394019
(4-amino-3-methylpiperidin-1-yl)-cycloheptylmethanone
CID 79868589
(4-amino-3-methylpiperidin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 79879328
1-(4-amino-3-methylpiperidin-1-yl)-3,3,3-trifluoropropan-1-one;hydrochloride
CID 119592411
(4-amino-3-methylpiperidin-1-yl)-(1-methylcyclobutyl)methanone;hydrochloride
CID 119592406
propan-2-yl 4-amino-3-methylpiperidine-1-carboxylate
CID 79867797
1-(4,5-dimethylazepan-1-yl)ethanone
CID 139460502

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride (CID 71757060) is 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride is CC(=O)N1CCC(N)C(C)C1.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride?
The InChIKey is ZCKLQZZIOMRCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O.ClH/c1-6-5-10(7(2)11)4-3-8(6)9;/h6,8H,3-5,9H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride has a molecular weight of 192.69 g/mol, XLogP of 0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-methylpiperidin-1-yl)ethanone;hydrochloride is sourced from PubChem (CID 71757060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).