1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride

C23H32ClNO2 — CID 127043453

IUPAC1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
SMILESCOc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)6-7-20-12-15-24(16-13-20)17-14-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
InChIKeyKXFRYZRPQKODRC-UHFFFAOYSA-N
MW389.97 g/mol
LogP5.01
Rot. Bonds8

About 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride

1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride (PubChem CID 127043453) has the molecular formula C23H32ClNO2 and a molecular weight of 389.97 g/mol. Its IUPAC name is 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
PubChem CID127043453
Molecular FormulaC23H32ClNO2
Molecular Weight389.97 g/mol
Exact Mass389.21
IUPAC Name1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride
SMILESCOc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1.Cl
InChIInChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)6-7-20-12-15-24(16-13-20)17-14-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H
InChIKeyKXFRYZRPQKODRC-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3-methoxyphenyl)ethyl]piperidin-4-ol
CID 82083424
4-[2-(2-methoxyphenyl)ethyl]-1-[2-(4-methoxyphenyl)ethyl]piperidine
CID 127043268
4-[1-fluoro-2-(4-methoxyphenyl)ethyl]-1-[2-(3-methoxyphenyl)ethyl]piperidine
CID 90423652
1-[2-(3-methoxyphenyl)ethyl]pyrrolidin-3-amine
CID 82158725
1,4-bis(2-phenylethyl)piperidine
CID 86059939
4-(methoxymethyl)-1-[3-(3-methoxyphenyl)propyl]piperidine
CID 71999972
1-[2-(3-methoxyphenyl)ethyl]-N-propylpiperidin-4-amine
CID 107852949
(3S)-3-[2-(4-methoxyphenyl)ethyl]-1-methylpyrrolidine
CID 150264737
(3S)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 119933968
[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]methanesulfonamide
CID 171910981
1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]ethanamine;hydrochloride
CID 119920973
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The IUPAC name of 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride (CID 127043453) is 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The canonical SMILES for 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride is COc1ccc(CCC2CCN(CCc3cccc(OC)c3)CC2)cc1.Cl.
What is the InChIKey of 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
The InChIKey is KXFRYZRPQKODRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.ClH/c1-25-22-10-8-19(9-11-22)6-7-20-12-15-24(16-13-20)17-14-21-4-3-5-23(18-21)26-2;/h3-5,8-11,18,20H,6-7,12-17H2,1-2H3;1H.
What are the key properties of 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride?
1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride has a molecular weight of 389.97 g/mol, XLogP of 5.01, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]piperidine;hydrochloride is sourced from PubChem (CID 127043453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).