4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride

C15H22Cl3NO — CID 71727756

IUPAC4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride
SMILESCCOCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21Cl2NO.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H
InChIKeyDEYDFIXCTXWVHT-UHFFFAOYSA-N
MW338.71 g/mol
LogP4.53
Rot. Bonds5

About 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride

4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride (PubChem CID 71727756) has the molecular formula C15H22Cl3NO and a molecular weight of 338.71 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride
PubChem CID71727756
Molecular FormulaC15H22Cl3NO
Molecular Weight338.71 g/mol
Exact Mass337.08
IUPAC Name4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride
SMILESCCOCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl
InChIInChI=1S/C15H21Cl2NO.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H
InChIKeyDEYDFIXCTXWVHT-UHFFFAOYSA-N
XLogP4.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.71
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride (CID 71727756) is 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride is CCOCC(c1ccc(Cl)c(Cl)c1)C1CCNCC1.Cl.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride?
The InChIKey is DEYDFIXCTXWVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl2NO.ClH/c1-2-19-10-13(11-5-7-18-8-6-11)12-3-4-14(16)15(17)9-12;/h3-4,9,11,13,18H,2,5-8,10H2,1H3;1H.
What are the key properties of 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride?
4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride has a molecular weight of 338.71 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)-2-ethoxyethyl]piperidine;hydrochloride is sourced from PubChem (CID 71727756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).