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

C14H18Cl3NO — CID 71727886

IUPAC1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H17Cl2NO.ClH/c1-9(18)14(10-4-6-17-7-5-10)11-2-3-12(15)13(16)8-11;/h2-3,8,10,14,17H,4-7H2,1H3;1H
InChIKeyYROYMUJBXFJCBF-UHFFFAOYSA-N
MW322.66 g/mol
LogP4.09
Rot. Bonds3

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

1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride (PubChem CID 71727886) has the molecular formula C14H18Cl3NO and a molecular weight of 322.66 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride
PubChem CID71727886
Molecular FormulaC14H18Cl3NO
Molecular Weight322.66 g/mol
Exact Mass321.05
IUPAC Name1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride
SMILESCC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C14H17Cl2NO.ClH/c1-9(18)14(10-4-6-17-7-5-10)11-2-3-12(15)13(16)8-11;/h2-3,8,10,14,17H,4-7H2,1H3;1H
InChIKeyYROYMUJBXFJCBF-UHFFFAOYSA-N
XLogP4.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.66
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride (CID 71727886) is 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride is CC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride?
The InChIKey is YROYMUJBXFJCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2NO.ClH/c1-9(18)14(10-4-6-17-7-5-10)11-2-3-12(15)13(16)8-11;/h2-3,8,10,14,17H,4-7H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride?
1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride has a molecular weight of 322.66 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpropan-2-one;hydrochloride is sourced from PubChem (CID 71727886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).