1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine

C14H23N3O — CID 116941744

IUPAC1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCOc1ccc(C(N)CC2CNCCN2C)cc1
InChIInChI=1S/C14H23N3O/c1-17-8-7-16-10-12(17)9-14(15)11-3-5-13(18-2)6-4-11/h3-6,12,14,16H,7-10,15H2,1-2H3
InChIKeyABTMUTAHMVRMSB-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.99
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine

1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine (PubChem CID 116941744) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
PubChem CID116941744
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
SMILESCOc1ccc(C(N)CC2CNCCN2C)cc1
InChIInChI=1S/C14H23N3O/c1-17-8-7-16-10-12(17)9-14(15)11-3-5-13(18-2)6-4-11/h3-6,12,14,16H,7-10,15H2,1-2H3
InChIKeyABTMUTAHMVRMSB-UHFFFAOYSA-N
XLogP0.99
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82291368
1-(1-methylpiperazin-2-yl)propan-2-amine
CID 116941733
1-(2-methoxyphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956969
(1R)-2-cyclopropyl-1-(4-methoxyphenyl)ethanamine;hydrochloride
CID 171200883
3-methyl-1-(1-methylpiperazin-2-yl)butan-2-amine
CID 116941732
1-[2-(4-methoxyphenyl)ethyl]-2-(2-methylpropyl)piperazine
CID 65441884
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
2-(methoxymethyl)-1-methylpiperazine;hydrochloride
CID 178190513
1-(4-ethylphenyl)-N-methyl-2-(1-methylpiperazin-2-yl)ethanamine
CID 116956943
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
6-methoxy-3-[(1-methylpiperazin-2-yl)methyl]-1H-indole
CID 84637869
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine (CID 116941744) is 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine is COc1ccc(C(N)CC2CNCCN2C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
The InChIKey is ABTMUTAHMVRMSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-17-8-7-16-10-12(17)9-14(15)11-3-5-13(18-2)6-4-11/h3-6,12,14,16H,7-10,15H2,1-2H3.
What are the key properties of 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine?
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine has a molecular weight of 249.36 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine is sourced from PubChem (CID 116941744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).