1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride

C14H21Cl2NO — CID 45260623

IUPAC1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14;/h2-5,12H,6-11H2,1H3;1H
InChIKeyQYSHEPYQEOVTPR-UHFFFAOYSA-N
MW290.23 g/mol
LogP3.87
Rot. Bonds4

About 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride

1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride (PubChem CID 45260623) has the molecular formula C14H21Cl2NO and a molecular weight of 290.23 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride
PubChem CID45260623
Molecular FormulaC14H21Cl2NO
Molecular Weight290.23 g/mol
Exact Mass289.10
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride
SMILESCC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl
InChIInChI=1S/C14H20ClNO.ClH/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14;/h2-5,12H,6-11H2,1H3;1H
InChIKeyQYSHEPYQEOVTPR-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.23
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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1-(2-(4-Chlorophenoxy)ethyl)piperazine
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CID 166634459
4-[2-(4-Chloro-3-methylphenoxy)ethyl]morpholine
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1-[4-(3-Chlorophenoxy)butyl]piperidine
CID 2057691
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CID 742653

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride (CID 45260623) is 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride is CC1CCN(CCOc2ccc(Cl)cc2)CC1.Cl.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The InChIKey is QYSHEPYQEOVTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClNO.ClH/c1-12-6-8-16(9-7-12)10-11-17-14-4-2-13(15)3-5-14;/h2-5,12H,6-11H2,1H3;1H.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride?
1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride has a molecular weight of 290.23 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 45260623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).