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

C16H22Cl3NO — CID 71727890

IUPAC1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride
SMILESCCCC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H21Cl2NO.ClH/c1-2-3-15(20)16(11-6-8-19-9-7-11)12-4-5-13(17)14(18)10-12;/h4-5,10-11,16,19H,2-3,6-9H2,1H3;1H
InChIKeyPFPDWJWOZCMTIS-UHFFFAOYSA-N
MW350.72 g/mol
LogP4.87
Rot. Bonds5

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

1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride (PubChem CID 71727890) has the molecular formula C16H22Cl3NO and a molecular weight of 350.72 g/mol. Its IUPAC name is 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride.

Molecular Properties

Compound Name1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride
PubChem CID71727890
Molecular FormulaC16H22Cl3NO
Molecular Weight350.72 g/mol
Exact Mass349.08
IUPAC Name1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride
SMILESCCCC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C16H21Cl2NO.ClH/c1-2-3-15(20)16(11-6-8-19-9-7-11)12-4-5-13(17)14(18)10-12;/h4-5,10-11,16,19H,2-3,6-9H2,1H3;1H
InChIKeyPFPDWJWOZCMTIS-UHFFFAOYSA-N
XLogP4.87
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.72
LogP ≤ 54.87
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-ylpentan-2-one;hydrochloride?
The IUPAC name of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride (CID 71727890) is 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride.
What is the SMILES notation for 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride?
The canonical SMILES for 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride is CCCC(=O)C(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride?
The InChIKey is PFPDWJWOZCMTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2NO.ClH/c1-2-3-15(20)16(11-6-8-19-9-7-11)12-4-5-13(17)14(18)10-12;/h4-5,10-11,16,19H,2-3,6-9H2,1H3;1H.
What are the key properties of 1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride?
1-(3,4-dichlorophenyl)-1-piperidin-4-ylpentan-2-one;hydrochloride has a molecular weight of 350.72 g/mol, XLogP of 4.87, 5 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-ylpentan-2-one;hydrochloride is sourced from PubChem (CID 71727890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).