1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

C15H23ClN2O — CID 119260936

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)N2CCC(N)C(C)C2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-3-5-13(6-4-11)9-15(18)17-8-7-14(16)12(2)10-17;/h3-6,12,14H,7-10,16H2,1-2H3;1H
InChIKeyCHBDFEDUSWXHIK-UHFFFAOYSA-N
MW282.81 g/mol
LogP2.16
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride

1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (PubChem CID 119260936) has the molecular formula C15H23ClN2O and a molecular weight of 282.81 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
PubChem CID119260936
Molecular FormulaC15H23ClN2O
Molecular Weight282.81 g/mol
Exact Mass282.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
SMILESCc1ccc(CC(=O)N2CCC(N)C(C)C2)cc1.Cl
InChIInChI=1S/C15H22N2O.ClH/c1-11-3-5-13(6-4-11)9-15(18)17-8-7-14(16)12(2)10-17;/h3-6,12,14H,7-10,16H2,1-2H3;1H
InChIKeyCHBDFEDUSWXHIK-UHFFFAOYSA-N
XLogP2.16
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.81
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
CID 119592490
1-(3-aminopyrrolidin-1-yl)-3-(4-methylphenyl)propan-1-one;hydrochloride
CID 119482522
1-[(3R)-3-hydroxypiperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 93040634
2-[4-(aminomethyl)phenyl]-1-(3-methylpyrrolidin-1-yl)ethanone
CID 63590667
1-(4-amino-3-methylpiperidin-1-yl)-3-pyridin-4-ylpropan-1-one
CID 81487357
1-[4-(chloromethyl)piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 63397980

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride (CID 119260936) is 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride is Cc1ccc(CC(=O)N2CCC(N)C(C)C2)cc1.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
The InChIKey is CHBDFEDUSWXHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O.ClH/c1-11-3-5-13(6-4-11)9-15(18)17-8-7-14(16)12(2)10-17;/h3-6,12,14H,7-10,16H2,1-2H3;1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride has a molecular weight of 282.81 g/mol, XLogP of 2.16, 2 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)-2-(4-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 119260936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).