1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole

C25H32N4 — CID 23993423

IUPAC1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole
SMILESc1ccc(C2CCN(C3(n4nnc5ccccc54)CCCCCCC3)CC2)cc1
InChIInChI=1S/C25H32N4/c1-2-9-17-25(18-10-3-1,29-24-14-8-7-13-23(24)26-27-29)28-19-15-22(16-20-28)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20H2
InChIKeyBXCTZBGAXAQOKO-UHFFFAOYSA-N
MW388.56 g/mol
LogP5.71
Rot. Bonds3

About 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole

1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole (PubChem CID 23993423) has the molecular formula C25H32N4 and a molecular weight of 388.56 g/mol. Its IUPAC name is 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole.

Molecular Properties

Compound Name1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole
PubChem CID23993423
Molecular FormulaC25H32N4
Molecular Weight388.56 g/mol
Exact Mass388.26
IUPAC Name1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole
SMILESc1ccc(C2CCN(C3(n4nnc5ccccc54)CCCCCCC3)CC2)cc1
InChIInChI=1S/C25H32N4/c1-2-9-17-25(18-10-3-1,29-24-14-8-7-13-23(24)26-27-29)28-19-15-22(16-20-28)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20H2
InChIKeyBXCTZBGAXAQOKO-UHFFFAOYSA-N
XLogP5.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.56
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole 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

1-(N,N-Bis(2-ethylhexyl)aminomethyl)methylbenzotriazole
CID 3036907
(4-Benzhydryl-piperazin-1-yl)-benzotriazol-1-yl-methanone
CID 71453311
1-Phenethyl-1H-benzo[d][1,2,3]triazole
CID 733621
1-[(4-Phenylphenyl)methyl]benzotriazole
CID 7504549
Benzotriazol-1-yl-(4-benzylpiperidin-1-yl)methanone
CID 17989764
Benzotriazol-1-yl-(4-phenylpiperazin-1-yl)methanone
CID 46831765
(1H-benzo(d)(1,2,3)triazol-1-yl)(4-benzylpiperazin-1-yl)methanone
CID 66683014
Benzotriazol-1-yl-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 66683053
Benzotriazol-1-yl-[4-[(3-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455022
Benzotriazol-1-yl-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]methanone
CID 71455023
Benzotriazol-1-yl-[4-[(4-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71455026
Benzotriazol-1-yl-[4-[(2-phenylphenyl)methyl]piperazin-1-yl]methanone
CID 71460495

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole?
The IUPAC name of 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole (CID 23993423) is 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole.
What is the SMILES notation for 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole?
The canonical SMILES for 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole is c1ccc(C2CCN(C3(n4nnc5ccccc54)CCCCCCC3)CC2)cc1.
What is the InChIKey of 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole?
The InChIKey is BXCTZBGAXAQOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4/c1-2-9-17-25(18-10-3-1,29-24-14-8-7-13-23(24)26-27-29)28-19-15-22(16-20-28)21-11-5-4-6-12-21/h4-8,11-14,22H,1-3,9-10,15-20H2.
What are the key properties of 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole?
1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole has a molecular weight of 388.56 g/mol, XLogP of 5.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-phenylpiperidin-1-yl)cyclooctyl]benzotriazole is sourced from PubChem (CID 23993423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).