2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide

C23H32BrNO2 — CID 54603548

IUPAC2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
SMILESBr.COc1ccc(CCC2CCCCN2CCc2ccccc2)cc1OC
InChIInChI=1S/C23H31NO2.BrH/c1-25-22-14-12-20(18-23(22)26-2)11-13-21-10-6-7-16-24(21)17-15-19-8-4-3-5-9-19;/h3-5,8-9,12,14,18,21H,6-7,10-11,13,15-17H2,1-2H3;1H
InChIKeyPKRBKXMBUGAEMT-UHFFFAOYSA-N
MW434.42 g/mol
LogP5.31
Rot. Bonds8

About 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide

2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide (PubChem CID 54603548) has the molecular formula C23H32BrNO2 and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide.

Molecular Properties

Compound Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
PubChem CID54603548
Molecular FormulaC23H32BrNO2
Molecular Weight434.42 g/mol
Exact Mass433.16
IUPAC Name2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
SMILESBr.COc1ccc(CCC2CCCCN2CCc2ccccc2)cc1OC
InChIInChI=1S/C23H31NO2.BrH/c1-25-22-14-12-20(18-23(22)26-2)11-13-21-10-6-7-16-24(21)17-15-19-8-4-3-5-9-19;/h3-5,8-9,12,14,18,21H,6-7,10-11,13,15-17H2,1-2H3;1H
InChIKeyPKRBKXMBUGAEMT-UHFFFAOYSA-N
XLogP5.31
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide 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

(E)-but-2-enedioic acid;1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2,2-diphenylethyl)pyrrolidine
CID 22909594
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
CID 63387052
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
3-[[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole
CID 86902013
1-[(2R)-2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]propan-1-one
CID 95158836
11-[[(2S)-1-[2-(3,4-dimethoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-6H-benzo[c][1,5]benzoxazepine
CID 15481932
(4S,4aS,8aS)-1-[2-(3,4-dimethoxyphenyl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-4-ol
CID 11898939
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
1-[3-(3,4-dimethoxyphenyl)propyl]-4-(3-phenylpropyl)piperazine;dihydrochloride
CID 18933219
4,5-dimethoxy-9-(2-phenylethyl)-9-azatricyclo[6.2.2.02,7]dodeca-2,4,6-triene
CID 13171097
2-(chloromethyl)-1-[(3,4-dimethoxyphenyl)methyl]azepane
CID 116638601

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide?
The IUPAC name of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide (CID 54603548) is 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide.
What is the SMILES notation for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide?
The canonical SMILES for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide is Br.COc1ccc(CCC2CCCCN2CCc2ccccc2)cc1OC.
What is the InChIKey of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide?
The InChIKey is PKRBKXMBUGAEMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2.BrH/c1-25-22-14-12-20(18-23(22)26-2)11-13-21-10-6-7-16-24(21)17-15-19-8-4-3-5-9-19;/h3-5,8-9,12,14,18,21H,6-7,10-11,13,15-17H2,1-2H3;1H.
What are the key properties of 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide?
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide has a molecular weight of 434.42 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide is sourced from PubChem (CID 54603548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).