1-(2-methoxyphenyl)-4-pentylpiperazine

C16H26N2O — CID 10422832

IUPAC1-(2-methoxyphenyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyKOQVTIBXMDYTOB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.01
Rot. Bonds6

About 1-(2-methoxyphenyl)-4-pentylpiperazine

1-(2-methoxyphenyl)-4-pentylpiperazine (PubChem CID 10422832) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-pentylpiperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-pentylpiperazine
PubChem CID10422832
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-(2-methoxyphenyl)-4-pentylpiperazine
SMILESCCCCCN1CCN(c2ccccc2OC)CC1
InChIInChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3
InChIKeyKOQVTIBXMDYTOB-UHFFFAOYSA-N
XLogP3.01
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-pentylpiperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-pentylpiperazine (CID 10422832) is 1-(2-methoxyphenyl)-4-pentylpiperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-pentylpiperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-pentylpiperazine is CCCCCN1CCN(c2ccccc2OC)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-pentylpiperazine?
The InChIKey is KOQVTIBXMDYTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-4-7-10-17-11-13-18(14-12-17)15-8-5-6-9-16(15)19-2/h5-6,8-9H,3-4,7,10-14H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-4-pentylpiperazine?
1-(2-methoxyphenyl)-4-pentylpiperazine has a molecular weight of 262.40 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-pentylpiperazine is sourced from PubChem (CID 10422832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).