1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine

C24H31N5O — CID 118719793

IUPAC1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C24H31N5O/c1-30-24-14-8-7-13-23(24)28-18-16-27(17-19-28)15-9-3-4-10-21-20-29(26-25-21)22-11-5-2-6-12-22/h2,5-8,11-14,20H,3-4,9-10,15-19H2,1H3
InChIKeyUWNBKMQSNLLWQV-UHFFFAOYSA-N
MW405.55 g/mol
LogP3.81
Rot. Bonds9

About 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine

1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine (PubChem CID 118719793) has the molecular formula C24H31N5O and a molecular weight of 405.55 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine
PubChem CID118719793
Molecular FormulaC24H31N5O
Molecular Weight405.55 g/mol
Exact Mass405.25
IUPAC Name1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1
InChIInChI=1S/C24H31N5O/c1-30-24-14-8-7-13-23(24)28-18-16-27(17-19-28)15-9-3-4-10-21-20-29(26-25-21)22-11-5-2-6-12-22/h2,5-8,11-14,20H,3-4,9-10,15-19H2,1H3
InChIKeyUWNBKMQSNLLWQV-UHFFFAOYSA-N
XLogP3.81
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-[5-(1-phenyltriazol-4-yl)pentyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine (CID 118719793) is 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine is COc1ccccc1N1CCN(CCCCCc2cn(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine?
The InChIKey is UWNBKMQSNLLWQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O/c1-30-24-14-8-7-13-23(24)28-18-16-27(17-19-28)15-9-3-4-10-21-20-29(26-25-21)22-11-5-2-6-12-22/h2,5-8,11-14,20H,3-4,9-10,15-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine?
1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine has a molecular weight of 405.55 g/mol, XLogP of 3.81, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine is sourced from PubChem (CID 118719793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).