1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol

C23H29N5O2 — CID 122180620

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-23-10-6-5-9-22(23)27-15-13-26(14-16-27)17-20(29)11-12-28-18-21(24-25-28)19-7-3-2-4-8-19/h2-10,18,20,29H,11-17H2,1H3
InChIKeyKOKVPXWLCVIJPN-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.53
Rot. Bonds8

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol (PubChem CID 122180620) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol
PubChem CID122180620
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccccc3)nn2)CC1
InChIInChI=1S/C23H29N5O2/c1-30-23-10-6-5-9-22(23)27-15-13-26(14-16-27)17-20(29)11-12-28-18-21(24-25-28)19-7-3-2-4-8-19/h2-10,18,20,29H,11-17H2,1H3
InChIKeyKOKVPXWLCVIJPN-UHFFFAOYSA-N
XLogP2.53
TPSA66.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol 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

2-[2-[2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethoxy]ethoxy]ethanol
CID 16736229
2-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]ethanol
CID 16736230
3-[4-[4-[4-(Dimethylamino)phenyl]triazol-1-yl]phenoxy]propan-1-ol
CID 16736236
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
1-(2-methoxyphenyl)-4-((1-phenyl-1H-1,2,3-triazol-4-yl)methyl)piperazine
CID 44412269
N,N-Diethyl-3-(1-(3-(4-(2-methoxyphenyl)piperazin-1-yl)propyl)-1H-1,2,3-triazol-4-yl)propan-1-amine
CID 45481891
(3R,4R,6R)-1-(cyclohexylmethyl)-4-[4-(4-fluorophenyl)triazol-1-yl]-6-(4-methoxyphenyl)piperidin-3-ol
CID 46902532
(2R,4R,5R)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-(4-methoxyphenyl)piperidin-4-ol
CID 46902627
(2R,4S,5S)-1-(cyclohexylmethyl)-5-[4-(4-fluorophenyl)triazol-1-yl]-2-(4-methoxyphenyl)piperidin-4-ol
CID 46902732
1-[[4-[3-(1-Butyltriazol-4-yl)propoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53361302
1-[[4-[(1-Butyltriazol-4-yl)methoxy]-3-methoxyphenyl]methyl]-4-(2-methoxyphenyl)piperazine
CID 53363109
1-(2-Methoxyphenyl)-4-[4-(4-phenyltriazol-1-yl)butyl]piperazine
CID 72190766

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol (CID 122180620) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol is COc1ccccc1N1CCN(CC(O)CCn2cc(-c3ccccc3)nn2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol?
The InChIKey is KOKVPXWLCVIJPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-30-23-10-6-5-9-22(23)27-15-13-26(14-16-27)17-20(29)11-12-28-18-21(24-25-28)19-7-3-2-4-8-19/h2-10,18,20,29H,11-17H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol has a molecular weight of 407.52 g/mol, XLogP of 2.53, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-4-(4-phenyltriazol-1-yl)butan-2-ol is sourced from PubChem (CID 122180620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).