1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride

C14H20ClNO — CID 53444394

IUPAC1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
SMILESCC1C(=O)CCN(Cc2ccccc2)C1C.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-12(2)15(9-8-14(11)16)10-13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H
InChIKeyQJBLUCMAWLXXEV-UHFFFAOYSA-N
MW253.77 g/mol
LogP2.91
Rot. Bonds2

About 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride

1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride (PubChem CID 53444394) has the molecular formula C14H20ClNO and a molecular weight of 253.77 g/mol. Its IUPAC name is 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride.

Molecular Properties

Compound Name1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
PubChem CID53444394
Molecular FormulaC14H20ClNO
Molecular Weight253.77 g/mol
Exact Mass253.12
IUPAC Name1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride
SMILESCC1C(=O)CCN(Cc2ccccc2)C1C.Cl
InChIInChI=1S/C14H19NO.ClH/c1-11-12(2)15(9-8-14(11)16)10-13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H
InChIKeyQJBLUCMAWLXXEV-UHFFFAOYSA-N
XLogP2.91
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.77
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(4-ethylphenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 106899928
1-[(3-chlorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406157
2,3-dimethyl-1-[(3-methylphenyl)methyl]piperidin-4-one
CID 79398439
1-[(3-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79398659
1-[(3-chloro-4-fluorophenyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406732
1-benzyl-2-ethylpyrrolidin-3-one
CID 83848143
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
2,3-dimethyl-1-(2-phenylpropyl)piperidin-4-one
CID 104591595
(4aR,7aR)-1-benzyl-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b]pyridin-4-one
CID 7200726
(4S,5R,6S)-1-benzyl-4,5,6-trimethylpiperidin-3-one
CID 99723982
1-[(6-methoxy-3-pyridinyl)methyl]-2,3-dimethylpiperidin-4-one
CID 79406431
1-[2-(4-chlorophenyl)ethyl]-2,3-dimethylpiperidin-4-one
CID 79396945

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride?
The IUPAC name of 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride (CID 53444394) is 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride.
What is the SMILES notation for 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride?
The canonical SMILES for 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride is CC1C(=O)CCN(Cc2ccccc2)C1C.Cl.
What is the InChIKey of 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride?
The InChIKey is QJBLUCMAWLXXEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO.ClH/c1-11-12(2)15(9-8-14(11)16)10-13-6-4-3-5-7-13;/h3-7,11-12H,8-10H2,1-2H3;1H.
What are the key properties of 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride?
1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride has a molecular weight of 253.77 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,3-dimethylpiperidin-4-one;hydrochloride is sourced from PubChem (CID 53444394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).