4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride

C13H18Cl3N — CID 71727648

IUPAC4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride
SMILESCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C13H17Cl2N.ClH/c1-9(10-4-6-16-7-5-10)11-2-3-12(14)13(15)8-11;/h2-3,8-10,16H,4-7H2,1H3;1H
InChIKeyYYWIEWLZZQPVRT-UHFFFAOYSA-N
MW294.65 g/mol
LogP4.52
Rot. Bonds2

About 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride

4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride (PubChem CID 71727648) has the molecular formula C13H18Cl3N and a molecular weight of 294.65 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride
PubChem CID71727648
Molecular FormulaC13H18Cl3N
Molecular Weight294.65 g/mol
Exact Mass293.05
IUPAC Name4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride
SMILESCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C13H17Cl2N.ClH/c1-9(10-4-6-16-7-5-10)11-2-3-12(14)13(15)8-11;/h2-3,8-10,16H,4-7H2,1H3;1H
InChIKeyYYWIEWLZZQPVRT-UHFFFAOYSA-N
XLogP4.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.65
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride (CID 71727648) is 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride is CC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride?
The InChIKey is YYWIEWLZZQPVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N.ClH/c1-9(10-4-6-16-7-5-10)11-2-3-12(14)13(15)8-11;/h2-3,8-10,16H,4-7H2,1H3;1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride?
4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride has a molecular weight of 294.65 g/mol, XLogP of 4.52, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 71727648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).