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

C15H24ClNO2 — CID 166634459

IUPAC1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-7-9-16(10-8-13)11-12-18-15-5-3-14(17-2)4-6-15;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyVPCREAVSOLBYLM-UHFFFAOYSA-N
MW285.81 g/mol
LogP3.23
Rot. Bonds5

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

1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride (PubChem CID 166634459) has the molecular formula C15H24ClNO2 and a molecular weight of 285.81 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
PubChem CID166634459
Molecular FormulaC15H24ClNO2
Molecular Weight285.81 g/mol
Exact Mass285.15
IUPAC Name1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride
SMILESCOc1ccc(OCCN2CCC(C)CC2)cc1.Cl
InChIInChI=1S/C15H23NO2.ClH/c1-13-7-9-16(10-8-13)11-12-18-15-5-3-14(17-2)4-6-15;/h3-6,13H,7-12H2,1-2H3;1H
InChIKeyVPCREAVSOLBYLM-UHFFFAOYSA-N
XLogP3.23
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.81
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The IUPAC name of 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride (CID 166634459) is 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride.
What is the SMILES notation for 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The canonical SMILES for 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride is COc1ccc(OCCN2CCC(C)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride?
The InChIKey is VPCREAVSOLBYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2.ClH/c1-13-7-9-16(10-8-13)11-12-18-15-5-3-14(17-2)4-6-15;/h3-6,13H,7-12H2,1-2H3;1H.
What are the key properties of 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride?
1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride has a molecular weight of 285.81 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenoxy)ethyl]-4-methylpiperidine;hydrochloride is sourced from PubChem (CID 166634459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).