1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine

C13H21N3O — CID 82291368

IUPAC1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
SMILESCOc1ccc(C(N)CN2CCNCC2)cc1
InChIInChI=1S/C13H21N3O/c1-17-12-4-2-11(3-5-12)13(14)10-16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3
InChIKeyQPKZBUJGYDNGHZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.60
Rot. Bonds4

About 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine

1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine (PubChem CID 82291368) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
PubChem CID82291368
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine
SMILESCOc1ccc(C(N)CN2CCNCC2)cc1
InChIInChI=1S/C13H21N3O/c1-17-12-4-2-11(3-5-12)13(14)10-16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3
InChIKeyQPKZBUJGYDNGHZ-UHFFFAOYSA-N
XLogP0.60
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(4-methoxyphenyl)-2-(4-methylpiperazin-1-yl)ethanamine
CID 30814031
2-[4-(cyclopropylmethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanamine
CID 61441376
1-(3-bromo-4-methoxyphenyl)-2-piperazin-1-ylethanamine
CID 82309048
(4-methoxyphenyl)-piperazin-1-ylmethanamine
CID 116939730
2-(1,4-diazepan-1-yl)-1-phenylethanamine
CID 63771215
1-(4-methoxyphenyl)-2-(1-methylpiperazin-2-yl)ethanamine
CID 116941744
1-[2-amino-2-(4-methoxyphenyl)ethyl]-N,N-diethylpyrrolidin-3-amine
CID 63169686
1-[(1R)-1-(4-methoxyphenyl)ethyl]piperazine
CID 7047764
1-[1-(4-methoxyphenyl)propyl]piperazine
CID 3971378
1-[(1S)-2-fluoro-1-(4-methoxyphenyl)ethyl]piperazine
CID 171181751
2-(azepan-1-yl)-1-(4-propoxyphenyl)ethanamine
CID 16785820
2-(azepan-1-yl)-1-(4-ethoxyphenyl)ethanamine
CID 16643631

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine?
The IUPAC name of 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine (CID 82291368) is 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine?
The canonical SMILES for 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine is COc1ccc(C(N)CN2CCNCC2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine?
The InChIKey is QPKZBUJGYDNGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-17-12-4-2-11(3-5-12)13(14)10-16-8-6-15-7-9-16/h2-5,13,15H,6-10,14H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine?
1-(4-methoxyphenyl)-2-piperazin-1-ylethanamine has a molecular weight of 235.33 g/mol, XLogP of 0.60, 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-piperazin-1-ylethanamine is sourced from PubChem (CID 82291368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).