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

C21H28ClNO2 — CID 57497626

IUPAC3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
SMILESCOc1cccc(CCc2ccccc2OC2CCCN(C)C2)c1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-22-14-6-10-20(16-22)24-21-11-4-3-8-18(21)13-12-17-7-5-9-19(15-17)23-2;/h3-5,7-9,11,15,20H,6,10,12-14,16H2,1-2H3;1H
InChIKeyNELIBTPHNBALEJ-UHFFFAOYSA-N
MW361.91 g/mol
LogP4.38
Rot. Bonds6

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

3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride (PubChem CID 57497626) has the molecular formula C21H28ClNO2 and a molecular weight of 361.91 g/mol. Its IUPAC name is 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride.

Molecular Properties

Compound Name3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
PubChem CID57497626
Molecular FormulaC21H28ClNO2
Molecular Weight361.91 g/mol
Exact Mass361.18
IUPAC Name3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride
SMILESCOc1cccc(CCc2ccccc2OC2CCCN(C)C2)c1.Cl
InChIInChI=1S/C21H27NO2.ClH/c1-22-14-6-10-20(16-22)24-21-11-4-3-8-18(21)13-12-17-7-5-9-19(15-17)23-2;/h3-5,7-9,11,15,20H,6,10,12-14,16H2,1-2H3;1H
InChIKeyNELIBTPHNBALEJ-UHFFFAOYSA-N
XLogP4.38
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.91
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpyrrolidine
CID 15896863
2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]-1-methylpiperidine;hydrochloride
CID 57497623
4-[2-(1-methylpiperidin-3-yl)oxyphenyl]butan-1-amine
CID 117411224
2-[2-(1-methylpyrrolidin-3-yl)oxyphenyl]ethanamine
CID 117095351
2-methyl-1-[2-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-amine
CID 117411189
O-[2-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]ethyl]hydroxylamine
CID 117450339
1-[3-(1-methylpiperidin-3-yl)oxyphenyl]propan-2-ol
CID 115005736
3-[3-methoxy-2-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444674
ethane;1-methyl-3-phenoxypiperidine
CID 176561362
tert-butyl 3-[[2-[2-(3-methoxyphenyl)ethyl]phenoxy]methyl]pyrrolidine-1-carboxylate
CID 19423970
ethyl (2R)-2-[2-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]ethyl]pyrrolidine-1-carboxylate
CID 10524872
3-[3-methoxy-4-(1-methylpiperidin-3-yl)oxyphenyl]propanal
CID 117444677

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride?
The IUPAC name of 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride (CID 57497626) is 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride.
What is the SMILES notation for 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride?
The canonical SMILES for 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride is COc1cccc(CCc2ccccc2OC2CCCN(C)C2)c1.Cl.
What is the InChIKey of 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride?
The InChIKey is NELIBTPHNBALEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27NO2.ClH/c1-22-14-6-10-20(16-22)24-21-11-4-3-8-18(21)13-12-17-7-5-9-19(15-17)23-2;/h3-5,7-9,11,15,20H,6,10,12-14,16H2,1-2H3;1H.
What are the key properties of 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride?
3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride has a molecular weight of 361.91 g/mol, XLogP of 4.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-1-methylpiperidine;hydrochloride is sourced from PubChem (CID 57497626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).