2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride

C23H32ClNO2 — CID 57497623

IUPAC2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
SMILESCOc1cccc(CCc2ccccc2OCCC2CCCCN2C)c1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-24-16-6-5-10-21(24)15-17-26-23-12-4-3-9-20(23)14-13-19-8-7-11-22(18-19)25-2;/h3-4,7-9,11-12,18,21H,5-6,10,13-17H2,1-2H3;1H
InChIKeyNJHRXLKPWKIFDF-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.16
Rot. Bonds8

About 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride (PubChem CID 57497623) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
PubChem CID57497623
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
SMILESCOc1cccc(CCc2ccccc2OCCC2CCCCN2C)c1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-24-16-6-5-10-21(24)15-17-26-23-12-4-3-9-20(23)14-13-19-8-7-11-22(18-19)25-2;/h3-4,7-9,11-12,18,21H,5-6,10,13-17H2,1-2H3;1H
InChIKeyNJHRXLKPWKIFDF-UHFFFAOYSA-N
XLogP5.16
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.97
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
2-[2-[2-[2-(2-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 10499737
1-methyl-2-[2-[2-(4-phenylbutyl)phenoxy]ethyl]piperidine;hydrochloride
CID 57497614
ethyl (2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10524872
(NE)-N-[(5S)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-ylidene]hydroxylamine
CID 101063126
2-[2-(3-methoxyphenoxy)ethyl]-1-methylpiperidine
CID 70628177
butyl 2-[2-[2-[4-(3-methoxyphenyl)butyl]phenoxy]ethyl]piperidine-1-carboxylate
CID 151773902
[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] 2,2-dimethylpropanoate;hydrochloride
CID 139719866
(2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-1-ium chloride
CID 10738261
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
CID 57497626
[(3R,5R)-5-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidin-3-yl] phenyl carbonate
CID 10553785
2-[2-(3-ethylphenoxy)ethyl]-1-methylpiperidine
CID 103616830

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride?
The IUPAC name of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride (CID 57497623) is 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride?
The canonical SMILES for 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride is COc1cccc(CCc2ccccc2OCCC2CCCCN2C)c1.Cl.
What is the InChIKey of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride?
The InChIKey is NJHRXLKPWKIFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-24-16-6-5-10-21(24)15-17-26-23-12-4-3-9-20(23)14-13-19-8-7-11-22(18-19)25-2;/h3-4,7-9,11-12,18,21H,5-6,10,13-17H2,1-2H3;1H.
What are the key properties of 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride?
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 57497623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).