1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole

C24H30N8 — CID 3819704

IUPAC1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
SMILESc1ccc2c(c1)nnn2C(C(N1CCCCC1)n1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C24H30N8/c1-7-15-29(16-8-1)23(31-21-13-5-3-11-19(21)25-27-31)24(30-17-9-2-10-18-30)32-22-14-6-4-12-20(22)26-28-32/h3-6,11-14,23-24H,1-2,7-10,15-18H2
InChIKeySQABCDAIPVEETJ-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.85
Rot. Bonds5

About 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole

1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole (PubChem CID 3819704) has the molecular formula C24H30N8 and a molecular weight of 430.56 g/mol. Its IUPAC name is 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole.

Molecular Properties

Compound Name1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
PubChem CID3819704
Molecular FormulaC24H30N8
Molecular Weight430.56 g/mol
Exact Mass430.26
IUPAC Name1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
SMILESc1ccc2c(c1)nnn2C(C(N1CCCCC1)n1nnc2ccccc21)N1CCCCC1
InChIInChI=1S/C24H30N8/c1-7-15-29(16-8-1)23(31-21-13-5-3-11-19(21)25-27-31)24(30-17-9-2-10-18-30)32-22-14-6-4-12-20(22)26-28-32/h3-6,11-14,23-24H,1-2,7-10,15-18H2
InChIKeySQABCDAIPVEETJ-UHFFFAOYSA-N
XLogP3.85
TPSA67.90 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-[(1S,2S)-2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole
CID 30741863
ethyl 4-(benzotriazol-1-yl)-4-ethoxy-2-piperidin-1-ylbutanoate
CID 10970442
1-[1-(benzotriazol-1-yl)prop-2-ynyl]cyclohexan-1-ol
CID 4254256
1-(benzotriazol-1-yl)-N,N'-dicyclohexylmethanediamine
CID 3478782
4-[1-(benzotriazol-1-yl)propyl]morpholine
CID 4639790
1-(3,3-dimethylbutan-2-yl)benzotriazole
CID 175055537
(1R)-1-(benzotriazol-1-yl)propan-1-ol
CID 640749
7-deuterio-1-propan-2-ylbenzotriazole
CID 10374745
1-(1-fluoro-2,2-dimethylpropyl)benzotriazole
CID 4562085
1-(aziridin-1-yl)benzotriazole
CID 137470324
1-[(1S)-1-ethoxyprop-2-ynyl]benzotriazole
CID 40527015
1-[1-(azepan-1-yl)cyclohexyl]benzotriazole
CID 23852181

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole?
The IUPAC name of 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole (CID 3819704) is 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole.
What is the SMILES notation for 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole?
The canonical SMILES for 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole is c1ccc2c(c1)nnn2C(C(N1CCCCC1)n1nnc2ccccc21)N1CCCCC1.
What is the InChIKey of 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole?
The InChIKey is SQABCDAIPVEETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N8/c1-7-15-29(16-8-1)23(31-21-13-5-3-11-19(21)25-27-31)24(30-17-9-2-10-18-30)32-22-14-6-4-12-20(22)26-28-32/h3-6,11-14,23-24H,1-2,7-10,15-18H2.
What are the key properties of 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole?
1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole has a molecular weight of 430.56 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzotriazol-1-yl)-1,2-di(piperidin-1-yl)ethyl]benzotriazole is sourced from PubChem (CID 3819704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).