1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine

C18H30N2O2 — CID 171309939

IUPAC1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1ccc(OC)c([C@H](CCC(C)C)N2CCNCC2)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)5-7-17(20-11-9-19-10-12-20)16-13-15(21-3)6-8-18(16)22-4/h6,8,13-14,17,19H,5,7,9-12H2,1-4H3/t17-/m0/s1
InChIKeyGFWVJRINNWGNOW-KRWDZBQOSA-N
MW306.45 g/mol
LogP3.09
Rot. Bonds7

About 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine

1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine (PubChem CID 171309939) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine.

Molecular Properties

Compound Name1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
PubChem CID171309939
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine
SMILESCOc1ccc(OC)c([C@H](CCC(C)C)N2CCNCC2)c1
InChIInChI=1S/C18H30N2O2/c1-14(2)5-7-17(20-11-9-19-10-12-20)16-13-15(21-3)6-8-18(16)22-4/h6,8,13-14,17,19H,5,7,9-12H2,1-4H3/t17-/m0/s1
InChIKeyGFWVJRINNWGNOW-KRWDZBQOSA-N
XLogP3.09
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine 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

1-[(1S)-1-(2,5-dimethoxyphenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171274130
1-[(1R)-1-(5-bromo-2-methoxyphenyl)-4-methylpentyl]piperazine
CID 171310767
1-[(1R)-1-(2,5-dimethoxyphenyl)pentyl]piperazine
CID 171307438
1-[(1S)-1-(2-bromo-5-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171310148
1-[(1R)-1-(2-methoxy-5-propan-2-ylphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171311326
1-[(1R)-1-(2,5-dimethoxyphenyl)-4,4,4-trifluorobutyl]piperazine;dihydrochloride
CID 171303391
(3R)-3-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306598
(3S)-3-(2,5-dimethoxyphenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171305853
1-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171274106
1-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]piperazine;dihydrochloride
CID 171286734
1-[(1R)-1-(6-methoxynaphthalen-2-yl)-4-methylpentyl]piperazine
CID 171310667
1-[(1S)-1-(4-methoxyphenyl)-4-methylpentyl]piperazine;dihydrochloride
CID 171309970

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine?
The IUPAC name of 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine (CID 171309939) is 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine.
What is the SMILES notation for 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine?
The canonical SMILES for 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine is COc1ccc(OC)c([C@H](CCC(C)C)N2CCNCC2)c1.
What is the InChIKey of 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine?
The InChIKey is GFWVJRINNWGNOW-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-14(2)5-7-17(20-11-9-19-10-12-20)16-13-15(21-3)6-8-18(16)22-4/h6,8,13-14,17,19H,5,7,9-12H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine?
1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine has a molecular weight of 306.45 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-(2,5-dimethoxyphenyl)-4-methylpentyl]piperazine is sourced from PubChem (CID 171309939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).