1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine

C27H31N5O — CID 122180575

IUPAC1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1
InChIInChI=1S/C27H31N5O/c1-33-27-11-5-4-10-26(27)31-18-16-30(17-19-31)14-6-7-15-32-21-25(28-29-32)24-13-12-22-8-2-3-9-23(22)20-24/h2-5,8-13,20-21H,6-7,14-19H2,1H3
InChIKeyZDQCZUNCBWFZGJ-UHFFFAOYSA-N
MW441.58 g/mol
LogP4.71
Rot. Bonds8

About 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine

1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine (PubChem CID 122180575) has the molecular formula C27H31N5O and a molecular weight of 441.58 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
PubChem CID122180575
Molecular FormulaC27H31N5O
Molecular Weight441.58 g/mol
Exact Mass441.25
IUPAC Name1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine
SMILESCOc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1
InChIInChI=1S/C27H31N5O/c1-33-27-11-5-4-10-26(27)31-18-16-30(17-19-31)14-6-7-15-32-21-25(28-29-32)24-13-12-22-8-2-3-9-23(22)20-24/h2-5,8-13,20-21H,6-7,14-19H2,1H3
InChIKeyZDQCZUNCBWFZGJ-UHFFFAOYSA-N
XLogP4.71
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.58
LogP ≤ 54.71
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

2-Methoxy-5-[4-[[4-(4-methylphenyl)triazol-1-yl]methyl]phenyl]pyridine
CID 155520839
(3R)-3-[4-(6-methoxynaphthalen-2-yl)triazol-1-yl]-1-azabicyclo[2.2.2]octane
CID 70980234
4-(4-Methoxyphenyl)-1-(naphthalen-2-ylmethyl)triazole
CID 24793540
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766
1-[4-[4-(4-Bromophenyl)triazol-1-yl]butyl]-4-(2-methoxyphenyl)piperazine
CID 72191064
1-(2-Methoxyphenyl)-4-[4-[4-(4-methoxyphenyl)triazol-1-yl]butyl]piperazine
CID 72191065
4-[1-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butyl]triazol-4-yl]aniline
CID 72191066
1-(2-Methoxyphenyl)-4-[4-(4-pyridin-3-yltriazol-1-yl)butyl]piperazine
CID 72191067
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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine (CID 122180575) is 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine is COc1ccccc1N1CCN(CCCCn2cc(-c3ccc4ccccc4c3)nn2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine?
The InChIKey is ZDQCZUNCBWFZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O/c1-33-27-11-5-4-10-26(27)31-18-16-30(17-19-31)14-6-7-15-32-21-25(28-29-32)24-13-12-22-8-2-3-9-23(22)20-24/h2-5,8-13,20-21H,6-7,14-19H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine?
1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine has a molecular weight of 441.58 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-[4-(4-naphthalen-2-yltriazol-1-yl)butyl]piperazine is sourced from PubChem (CID 122180575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).