1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride

C18H23ClN2O — CID 119592490

IUPAC1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
SMILESCC1CN(C(=O)Cc2cccc3ccccc23)CCC1N.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13-12-20(10-9-17(13)19)18(21)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13,17H,9-12,19H2,1H3;1H
InChIKeyBJUBPJJCWZOLBV-UHFFFAOYSA-N
MW318.85 g/mol
LogP3.00
Rot. Bonds2

About 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride

1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride (PubChem CID 119592490) has the molecular formula C18H23ClN2O and a molecular weight of 318.85 g/mol. Its IUPAC name is 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
PubChem CID119592490
Molecular FormulaC18H23ClN2O
Molecular Weight318.85 g/mol
Exact Mass318.15
IUPAC Name1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride
SMILESCC1CN(C(=O)Cc2cccc3ccccc23)CCC1N.Cl
InChIInChI=1S/C18H22N2O.ClH/c1-13-12-20(10-9-17(13)19)18(21)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13,17H,9-12,19H2,1H3;1H
InChIKeyBJUBPJJCWZOLBV-UHFFFAOYSA-N
XLogP3.00
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.85
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-amino-3-methylpiperidin-1-yl)-2-(2-fluorophenyl)ethanone;hydrochloride
CID 119260930
1-(3-bromo-4-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 102962438
1-(3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone
CID 2948345
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-2-ylethanone
CID 79873716
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-methylphenyl)ethanone
CID 79880159
1-(3-methylsulfonylpyrrolidin-1-yl)-2-naphthalen-1-ylethanone
CID 90584610
1-(4-amino-3-methylpiperidin-1-yl)-2-(3-fluorophenyl)ethanone;hydrochloride
CID 119260933
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-methylphenyl)ethanone;hydrochloride
CID 119260936
1-(4-amino-3-methylpiperidin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 79868676
2-naphthalen-1-yl-1-pyrrolidin-1-ylethanone
CID 905345
1-(4-amino-3-methylpiperidin-1-yl)-2-pyridin-3-ylethanone
CID 79879332
1-(3-amino-4-methylpyrrolidin-1-yl)-2-(7-methoxynaphthalen-1-yl)ethanone
CID 166238550

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride?
The IUPAC name of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride (CID 119592490) is 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride.
What is the SMILES notation for 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride?
The canonical SMILES for 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride is CC1CN(C(=O)Cc2cccc3ccccc23)CCC1N.Cl.
What is the InChIKey of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride?
The InChIKey is BJUBPJJCWZOLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O.ClH/c1-13-12-20(10-9-17(13)19)18(21)11-15-7-4-6-14-5-2-3-8-16(14)15;/h2-8,13,17H,9-12,19H2,1H3;1H.
What are the key properties of 1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride?
1-(4-amino-3-methylpiperidin-1-yl)-2-naphthalen-1-ylethanone;hydrochloride has a molecular weight of 318.85 g/mol, XLogP of 3.00, 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-naphthalen-1-ylethanone;hydrochloride is sourced from PubChem (CID 119592490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).