2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

C16H23ClN2O — CID 120668435

IUPAC2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESC=CC1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-3-13-8-10-18(11-9-13)16(19)15(17)14-6-4-12(2)5-7-14;/h3-7,13,15H,1,8-11,17H2,2H3;1H
InChIKeyCFYATOSUYQEBCY-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.84
Rot. Bonds3

About 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 120668435) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID120668435
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESC=CC1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl
InChIInChI=1S/C16H22N2O.ClH/c1-3-13-8-10-18(11-9-13)16(19)15(17)14-6-4-12(2)5-7-14;/h3-7,13,15H,1,8-11,17H2,2H3;1H
InChIKeyCFYATOSUYQEBCY-UHFFFAOYSA-N
XLogP2.84
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668182
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106151455
2-amino-1-(azepan-1-yl)-2-(4-methylphenyl)ethanone
CID 106151029
2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-(4-methylphenyl)ethanone
CID 106312840
2-amino-1-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668250
2-amino-1-[4-(4-methylcyclohexyl)oxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 120668374
2-amino-1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 122080822
2-amino-2-(4-methylphenyl)-1-[4-(morpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 120666722
1-(4-acetyl-1,4-diazepan-1-yl)-2-amino-2-(4-methylphenyl)ethanone
CID 106151021
4-[2-amino-2-(4-methylphenyl)acetyl]-N,N-diethylpiperazine-1-carboxamide
CID 120667255
1-[4-[2-amino-2-(4-methylphenyl)acetyl]piperazin-1-yl]-3-cyclopentylpropan-1-one;hydrochloride
CID 120667196
2-amino-1-(4-ethyl-4-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 120668146

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (CID 120668435) is 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride is C=CC1CCN(C(=O)C(N)c2ccc(C)cc2)CC1.Cl.
What is the InChIKey of 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is CFYATOSUYQEBCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c1-3-13-8-10-18(11-9-13)16(19)15(17)14-6-4-12(2)5-7-14;/h3-7,13,15H,1,8-11,17H2,2H3;1H.
What are the key properties of 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-ethenylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 120668435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).