2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

C20H27N3O2 — CID 16642461

IUPAC2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccc(C(CN)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-24-18-7-3-16(4-8-18)20(15-21)23-13-11-22(12-14-23)17-5-9-19(25-2)10-6-17/h3-10,20H,11-15,21H2,1-2H3
InChIKeyCPNGBOZIJXCNIF-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.53
Rot. Bonds6

About 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine

2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine (PubChem CID 16642461) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
PubChem CID16642461
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine
SMILESCOc1ccc(C(CN)N2CCN(c3ccc(OC)cc3)CC2)cc1
InChIInChI=1S/C20H27N3O2/c1-24-18-7-3-16(4-8-18)20(15-21)23-13-11-22(12-14-23)17-5-9-19(25-2)10-6-17/h3-10,20H,11-15,21H2,1-2H3
InChIKeyCPNGBOZIJXCNIF-UHFFFAOYSA-N
XLogP2.53
TPSA50.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(4-methoxyphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 9161175
2-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(4-methoxyphenyl)ethanamine
CID 43581263
2-(4,4-dimethylazepan-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 65283416
2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylphenyl)ethanamine
CID 16642714
2-(4-methoxyphenyl)-2-morpholin-4-ylethanamine;oxalic acid
CID 171156320
2-(4-ethylphenyl)-2-(4-phenylpiperazin-1-yl)ethanamine
CID 16642722
2-(6-methoxynaphthalen-2-yl)-2-morpholin-4-ylethanamine
CID 16792697
tert-butyl 4-[(1R)-2-amino-1-(4-methoxyphenyl)ethyl]piperazine-1-carboxylate
CID 28703897
2-(3-ethylpiperidin-1-yl)-2-(4-methoxyphenyl)ethanamine
CID 43584268
[3-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[4-(trifluoromethyl)phenyl]propyl] carbamate
CID 68660079
1-butan-2-yl-4-(4-methoxyphenyl)piperazine;dihydrochloride
CID 20519338
1-[2-amino-1-(4-methoxyphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 44890916

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The IUPAC name of 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine (CID 16642461) is 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine.
What is the SMILES notation for 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The canonical SMILES for 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine is COc1ccc(C(CN)N2CCN(c3ccc(OC)cc3)CC2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
The InChIKey is CPNGBOZIJXCNIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-24-18-7-3-16(4-8-18)20(15-21)23-13-11-22(12-14-23)17-5-9-19(25-2)10-6-17/h3-10,20H,11-15,21H2,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine?
2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine has a molecular weight of 341.46 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanamine is sourced from PubChem (CID 16642461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).