2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride

C15H22ClNO2 — CID 21448625

IUPAC2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
SMILESCOc1ccc(CC2NCCC(=O)C2(C)C)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-15(2)13(16-9-8-14(15)17)10-11-4-6-12(18-3)7-5-11;/h4-7,13,16H,8-10H2,1-3H3;1H
InChIKeyPURLRRPHFLHWGT-UHFFFAOYSA-N
MW283.80 g/mol
LogP2.62
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride

2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride (PubChem CID 21448625) has the molecular formula C15H22ClNO2 and a molecular weight of 283.80 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
PubChem CID21448625
Molecular FormulaC15H22ClNO2
Molecular Weight283.80 g/mol
Exact Mass283.13
IUPAC Name2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride
SMILESCOc1ccc(CC2NCCC(=O)C2(C)C)cc1.Cl
InChIInChI=1S/C15H21NO2.ClH/c1-15(2)13(16-9-8-14(15)17)10-11-4-6-12(18-3)7-5-11;/h4-7,13,16H,8-10H2,1-3H3;1H
InChIKeyPURLRRPHFLHWGT-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.80
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride (CID 21448625) is 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride is COc1ccc(CC2NCCC(=O)C2(C)C)cc1.Cl.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is PURLRRPHFLHWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2.ClH/c1-15(2)13(16-9-8-14(15)17)10-11-4-6-12(18-3)7-5-11;/h4-7,13,16H,8-10H2,1-3H3;1H.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride?
2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 283.80 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3,3-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 21448625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).