3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine

C15H22N2O2 — CID 64924196

IUPAC3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNC(C3CC3)C2)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-18-12-5-6-14(15(9-12)19-2)17-8-7-16-13(10-17)11-3-4-11/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyJODCHMLQFBARMI-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.89
Rot. Bonds4

About 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine

3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine (PubChem CID 64924196) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine.

Molecular Properties

Compound Name3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
PubChem CID64924196
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine
SMILESCOc1ccc(N2CCNC(C3CC3)C2)c(OC)c1
InChIInChI=1S/C15H22N2O2/c1-18-12-5-6-14(15(9-12)19-2)17-8-7-16-13(10-17)11-3-4-11/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3
InChIKeyJODCHMLQFBARMI-UHFFFAOYSA-N
XLogP1.89
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2-Methoxyphenyl)piperazine
CID 1346
1-(4-Methoxyphenyl)piperazine
CID 269722
N-(2-Methoxyphenyl)piperazine hydrochloride
CID 9899402
1-(2,4-Dimethoxyphenyl)piperazine
CID 2736204
1-(2,4-Dimethoxyphenyl)-3-(4-methylpiperazin-1-yl)urea
CID 978207
3-(4-benzylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)propanamide
CID 2901762
N-(2,4-dimethoxyphenyl)-3-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 3145297
N-(2,4-dimethoxyphenyl)-2-methylbutanamide
CID 3140488
1-Cyclohexyl-3-(2,4-dimethoxyphenyl)thiourea
CID 2170787
2,4-Dimethoxy-N-methylbenzenamine
CID 15395203
N-(2,4-dimethoxyphenyl)-1-(2-phenylethyl)-4-piperidinamine
CID 783866
4-benzyl-N-(2,4-dimethoxyphenyl)piperazine-1-carbothioamide
CID 1213442

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine?
The IUPAC name of 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine (CID 64924196) is 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine.
What is the SMILES notation for 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine?
The canonical SMILES for 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine is COc1ccc(N2CCNC(C3CC3)C2)c(OC)c1.
What is the InChIKey of 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine?
The InChIKey is JODCHMLQFBARMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-18-12-5-6-14(15(9-12)19-2)17-8-7-16-13(10-17)11-3-4-11/h5-6,9,11,13,16H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine?
3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine has a molecular weight of 262.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(2,4-dimethoxyphenyl)piperazine is sourced from PubChem (CID 64924196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).