1-methyl-2-(4-propoxyphenyl)piperazine

C14H22N2O — CID 82290917

IUPAC1-methyl-2-(4-propoxyphenyl)piperazine
SMILESCCCOc1ccc(C2CNCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyYGAHJIGJVBCEJZ-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.05
Rot. Bonds4

About 1-methyl-2-(4-propoxyphenyl)piperazine

1-methyl-2-(4-propoxyphenyl)piperazine (PubChem CID 82290917) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-methyl-2-(4-propoxyphenyl)piperazine.

Molecular Properties

Compound Name1-methyl-2-(4-propoxyphenyl)piperazine
PubChem CID82290917
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-methyl-2-(4-propoxyphenyl)piperazine
SMILESCCCOc1ccc(C2CNCCN2C)cc1
InChIInChI=1S/C14H22N2O/c1-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3
InChIKeyYGAHJIGJVBCEJZ-UHFFFAOYSA-N
XLogP2.05
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methylimidazol-2-yl)-1-[2-(4-propoxyphenoxy)ethyl]piperazine
CID 120870925
tert-butyl (2S)-4-[4-(1-methylpiperazin-2-yl)phenoxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 22874945
1-methyl-2-(4-propan-2-ylphenyl)piperazine
CID 82021257
2-(4-butoxyphenyl)-1-methylpyrrolidine;methane
CID 159295840
(2R)-1-methyl-2-pyridin-4-ylpiperazine
CID 28804916
4-(1-methylpiperazin-2-yl)benzoic acid
CID 116989147
4-methyl-3-(4-propoxyphenyl)piperidine
CID 66274020
2-[(4-ethoxyphenyl)methyl]-1-methylpiperazine
CID 116928023
4-ethoxy-N-methyl-N-[(1-methylpiperazin-2-yl)methyl]aniline
CID 115238316
7-(4-methoxyphenyl)-1-methyl-1,4-diazepane
CID 82286366
2-methyl-1-(4-propoxyphenyl)sulfonylpiperazine
CID 62672257
1-(2-methylpiperazin-1-yl)-2-(4-propoxyphenoxy)ethanone;hydrochloride
CID 119470131

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(4-propoxyphenyl)piperazine?
The IUPAC name of 1-methyl-2-(4-propoxyphenyl)piperazine (CID 82290917) is 1-methyl-2-(4-propoxyphenyl)piperazine.
What is the SMILES notation for 1-methyl-2-(4-propoxyphenyl)piperazine?
The canonical SMILES for 1-methyl-2-(4-propoxyphenyl)piperazine is CCCOc1ccc(C2CNCCN2C)cc1.
What is the InChIKey of 1-methyl-2-(4-propoxyphenyl)piperazine?
The InChIKey is YGAHJIGJVBCEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-3-10-17-13-6-4-12(5-7-13)14-11-15-8-9-16(14)2/h4-7,14-15H,3,8-11H2,1-2H3.
What are the key properties of 1-methyl-2-(4-propoxyphenyl)piperazine?
1-methyl-2-(4-propoxyphenyl)piperazine has a molecular weight of 234.34 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(4-propoxyphenyl)piperazine is sourced from PubChem (CID 82290917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).