1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine

C30H33N5O — CID 122180569

IUPAC1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1
InChIInChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3
InChIKeyHCHRWGMYPOWUFG-UHFFFAOYSA-N
MW479.63 g/mol
LogP4.99
Rot. Bonds8

About 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine

1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine (PubChem CID 122180569) has the molecular formula C30H33N5O and a molecular weight of 479.63 g/mol. Its IUPAC name is 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine
PubChem CID122180569
Molecular FormulaC30H33N5O
Molecular Weight479.63 g/mol
Exact Mass479.27
IUPAC Name1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine
SMILESCOc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1
InChIInChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3
InChIKeyHCHRWGMYPOWUFG-UHFFFAOYSA-N
XLogP4.99
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.63
LogP ≤ 54.99
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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Related Compounds

1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
1-(2-Methoxyphenyl)-4-[3-(1-phenyltriazol-4-yl)propyl]piperazine
CID 118719791
1-(2-Methoxyphenyl)-4-[4-(1-phenyltriazol-4-yl)butyl]piperazine
CID 118719792
1-(2-Methoxyphenyl)-4-[5-(1-phenyltriazol-4-yl)pentyl]piperazine
CID 118719793
5-[4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propyl]triazol-1-yl]isoquinoline
CID 118719794
5-[4-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-1-yl]isoquinoline
CID 118719795
5-[4-[5-[4-(2-Methoxyphenyl)piperazin-1-yl]pentyl]triazol-1-yl]isoquinoline
CID 118719796
1-(2-Methoxyphenyl)-4-[5-[1-(4-thiophen-3-ylphenyl)triazol-4-yl]pentyl]piperazine
CID 118719799
1-(2-Methoxyphenyl)-4-[3-[1-(2-methoxyphenyl)triazol-4-yl]propyl]piperazine
CID 118719803
1-(2-Methoxyphenyl)-4-[4-[1-(2-methoxyphenyl)triazol-4-yl]butyl]piperazine
CID 118719804

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The IUPAC name of 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine (CID 122180569) is 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The canonical SMILES for 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine is COc1ccccc1N1CCN(CCCCc2cn(-c3ccc4c(c3)Cc3ccccc3-4)nn2)CC1.
What is the InChIKey of 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine?
The InChIKey is HCHRWGMYPOWUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O/c1-36-30-12-5-4-11-29(30)34-18-16-33(17-19-34)15-7-6-9-25-22-35(32-31-25)26-13-14-28-24(21-26)20-23-8-2-3-10-27(23)28/h2-5,8,10-14,21-22H,6-7,9,15-20H2,1H3.
What are the key properties of 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine?
1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine has a molecular weight of 479.63 g/mol, XLogP of 4.99, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(9H-fluoren-2-yl)triazol-4-yl]butyl]-4-(2-methoxyphenyl)piperazine is sourced from PubChem (CID 122180569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).