2-[4-(2-methylpropoxy)phenyl]piperazine

C14H22N2O — CID 82290919

IUPAC2-[4-(2-methylpropoxy)phenyl]piperazine
SMILESCC(C)COc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-17-13-5-3-12(4-6-13)14-9-15-7-8-16-14/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyCLCIXWWKNHNHLT-UHFFFAOYSA-N
MW234.34 g/mol
LogP1.96
Rot. Bonds4

About 2-[4-(2-methylpropoxy)phenyl]piperazine

2-[4-(2-methylpropoxy)phenyl]piperazine (PubChem CID 82290919) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[4-(2-methylpropoxy)phenyl]piperazine.

Molecular Properties

Compound Name2-[4-(2-methylpropoxy)phenyl]piperazine
PubChem CID82290919
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[4-(2-methylpropoxy)phenyl]piperazine
SMILESCC(C)COc1ccc(C2CNCCN2)cc1
InChIInChI=1S/C14H22N2O/c1-11(2)10-17-13-5-3-12(4-6-13)14-9-15-7-8-16-14/h3-6,11,14-16H,7-10H2,1-2H3
InChIKeyCLCIXWWKNHNHLT-UHFFFAOYSA-N
XLogP1.96
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131626
3-[4-(2-methylpropoxy)phenyl]morpholine
CID 82291237
2-[4-(2-methylpropoxy)phenyl]thiomorpholine
CID 82297938
2-(4-phenoxyphenyl)piperazine
CID 82298874
2-(4-ethylphenyl)piperazine
CID 45036830
(2S)-2-[4-(methoxymethyl)phenyl]piperazine
CID 67928117
[4-[(2S)-piperazin-2-yl]phenyl] acetate;hydrochloride
CID 171193891
5-[4-(2-methylpropoxy)phenyl]-1,3-oxazolidine
CID 82472844
2-(4-methoxyphenyl)-1,4-diazocane
CID 2771778
5-[4-(2-methylpropoxy)phenyl]pyrazolidine-3-carbohydrazide
CID 78211548
2-[3-(2-methylpropoxy)phenyl]pyrrolidine
CID 77131627
3-methyl-4-(4-piperazin-2-ylphenoxy)-1H-pyrrolo[2,3-b]pyridine
CID 155386650

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methylpropoxy)phenyl]piperazine?
The IUPAC name of 2-[4-(2-methylpropoxy)phenyl]piperazine (CID 82290919) is 2-[4-(2-methylpropoxy)phenyl]piperazine.
What is the SMILES notation for 2-[4-(2-methylpropoxy)phenyl]piperazine?
The canonical SMILES for 2-[4-(2-methylpropoxy)phenyl]piperazine is CC(C)COc1ccc(C2CNCCN2)cc1.
What is the InChIKey of 2-[4-(2-methylpropoxy)phenyl]piperazine?
The InChIKey is CLCIXWWKNHNHLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-11(2)10-17-13-5-3-12(4-6-13)14-9-15-7-8-16-14/h3-6,11,14-16H,7-10H2,1-2H3.
What are the key properties of 2-[4-(2-methylpropoxy)phenyl]piperazine?
2-[4-(2-methylpropoxy)phenyl]piperazine has a molecular weight of 234.34 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methylpropoxy)phenyl]piperazine is sourced from PubChem (CID 82290919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).