1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine

C17H28N2O — CID 176934846

IUPAC1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(C(C)C)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O/c1-5-8-18-9-11-19(12-10-18)15-6-7-16(14(2)3)17(13-15)20-4/h6-7,13-14H,5,8-12H2,1-4H3
InChIKeyGDCVOVLUFSQGIB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.35
Rot. Bonds5

About 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine

1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine (PubChem CID 176934846) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine.

Molecular Properties

Compound Name1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
PubChem CID176934846
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine
SMILESCCCN1CCN(c2ccc(C(C)C)c(OC)c2)CC1
InChIInChI=1S/C17H28N2O/c1-5-8-18-9-11-19(12-10-18)15-6-7-16(14(2)3)17(13-15)20-4/h6-7,13-14H,5,8-12H2,1-4H3
InChIKeyGDCVOVLUFSQGIB-UHFFFAOYSA-N
XLogP3.35
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-methoxy-4-propan-2-ylphenyl)-6-propyl-3,6-diazabicyclo[3.1.1]heptane
CID 178165028
1-butyl-4-[4-propan-2-yl-3-(trifluoromethoxy)phenyl]piperazine;ethane
CID 176934535
1-(4-methoxyphenyl)-4-propylpiperazine
CID 12854846
2-[1-(ethylamino)ethyl]-5-(4-propylpiperazin-1-yl)phenol
CID 79590215
4-[4-(2-fluoroethyl)piperazin-1-yl]-2-methoxyaniline
CID 88571838
1-(4-chlorophenyl)-4-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]piperazine
CID 14519632
4-methoxy-3-(4-propylpiperazin-1-yl)aniline
CID 166926125
1-(3,4-dimethoxyphenyl)-4-methylpiperazine
CID 21363782
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
1-(3-methoxy-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 146634256
ethane;1-(4-ethylphenyl)-4-propylpiperazine
CID 170586742
1-(3,4-dimethoxyphenyl)-4-(4-ethylphenyl)piperazine
CID 59545760

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine?
The IUPAC name of 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine (CID 176934846) is 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine.
What is the SMILES notation for 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine?
The canonical SMILES for 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine is CCCN1CCN(c2ccc(C(C)C)c(OC)c2)CC1.
What is the InChIKey of 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine?
The InChIKey is GDCVOVLUFSQGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-5-8-18-9-11-19(12-10-18)15-6-7-16(14(2)3)17(13-15)20-4/h6-7,13-14H,5,8-12H2,1-4H3.
What are the key properties of 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine?
1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine has a molecular weight of 276.42 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-propan-2-ylphenyl)-4-propylpiperazine is sourced from PubChem (CID 176934846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).