1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride

C16H24ClNO3 — CID 67928685

IUPAC1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCOc1ccc(CC(=O)CC2CCNCC2)cc1OC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-15-4-3-13(11-16(15)20-2)10-14(18)9-12-5-7-17-8-6-12;/h3-4,11-12,17H,5-10H2,1-2H3;1H
InChIKeyDGBOFWZHSSZTQW-UHFFFAOYSA-N
MW313.83 g/mol
LogP2.63
Rot. Bonds6

About 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride

1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride (PubChem CID 67928685) has the molecular formula C16H24ClNO3 and a molecular weight of 313.83 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
PubChem CID67928685
Molecular FormulaC16H24ClNO3
Molecular Weight313.83 g/mol
Exact Mass313.14
IUPAC Name1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCOc1ccc(CC(=O)CC2CCNCC2)cc1OC.Cl
InChIInChI=1S/C16H23NO3.ClH/c1-19-15-4-3-13(11-16(15)20-2)10-14(18)9-12-5-7-17-8-6-12;/h3-4,11-12,17H,5-10H2,1-2H3;1H
InChIKeyDGBOFWZHSSZTQW-UHFFFAOYSA-N
XLogP2.63
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-(3-ethoxycyclobutyl)propan-2-one
CID 103164062
1-(3-bromo-4-methoxyphenyl)-4-piperidin-4-ylbutan-2-one
CID 116563510
1-(3-bromo-4-methoxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564329
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-piperidin-4-ylethanone
CID 124687445
1-(2-methoxyphenyl)-3-pyrrolidin-3-ylpropan-2-one
CID 116583565
N-[(3,4-dimethoxyphenyl)methyl]azepane-4-carboxamide;hydrochloride
CID 154911557
N-cycloheptyl-2-(3,4-dimethoxyphenyl)acetamide
CID 720355
N-[(3,4-dimethoxyphenyl)methyl]-3-piperidin-4-ylbutanamide
CID 119674855
1-(3-fluoro-4-methoxyphenyl)-4-piperidin-4-yloxybutan-2-one
CID 116572161
N-[[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155046
1-(4-bromophenyl)-3-(3,4-dimethoxyphenyl)propan-2-one
CID 60864985
1-cyclohexyl-2-(3,4-dimethoxyphenyl)ethanone
CID 60863000

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride (CID 67928685) is 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride is COc1ccc(CC(=O)CC2CCNCC2)cc1OC.Cl.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride?
The InChIKey is DGBOFWZHSSZTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3.ClH/c1-19-15-4-3-13(11-16(15)20-2)10-14(18)9-12-5-7-17-8-6-12;/h3-4,11-12,17H,5-10H2,1-2H3;1H.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride?
1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride has a molecular weight of 313.83 g/mol, XLogP of 2.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3-piperidin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 67928685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).