1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride

C20H27ClN2O — CID 120819720

IUPAC1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(N)C(C)(C)C1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14(16-9-8-15-6-4-5-7-17(15)12-16)19(23)22-11-10-18(21)20(2,3)13-22;/h4-9,12,14,18H,10-11,13,21H2,1-3H3;1H
InChIKeyIGRZBEODERKURN-UHFFFAOYSA-N
MW346.90 g/mol
LogP3.95
Rot. Bonds2

About 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride

1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride (PubChem CID 120819720) has the molecular formula C20H27ClN2O and a molecular weight of 346.90 g/mol. Its IUPAC name is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
PubChem CID120819720
Molecular FormulaC20H27ClN2O
Molecular Weight346.90 g/mol
Exact Mass346.18
IUPAC Name1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride
SMILESCC(C(=O)N1CCC(N)C(C)(C)C1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H26N2O.ClH/c1-14(16-9-8-15-6-4-5-7-17(15)12-16)19(23)22-11-10-18(21)20(2,3)13-22;/h4-9,12,14,18H,10-11,13,21H2,1-3H3;1H
InChIKeyIGRZBEODERKURN-UHFFFAOYSA-N
XLogP3.95
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.90
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride?
The IUPAC name of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride (CID 120819720) is 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride.
What is the SMILES notation for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride?
The canonical SMILES for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride is CC(C(=O)N1CCC(N)C(C)(C)C1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride?
The InChIKey is IGRZBEODERKURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O.ClH/c1-14(16-9-8-15-6-4-5-7-17(15)12-16)19(23)22-11-10-18(21)20(2,3)13-22;/h4-9,12,14,18H,10-11,13,21H2,1-3H3;1H.
What are the key properties of 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride?
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride has a molecular weight of 346.90 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-naphthalen-2-ylpropan-1-one;hydrochloride is sourced from PubChem (CID 120819720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).