5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole

C20H24ClN5O — CID 11740820

IUPAC5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCCn2nc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C20H24ClN5O/c1-27-20-6-3-2-5-19(20)25-13-11-24(12-14-25)9-4-10-26-22-17-8-7-16(21)15-18(17)23-26/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyNNEHKFSVQQVMGV-UHFFFAOYSA-N
MW385.90 g/mol
LogP3.31
Rot. Bonds6

About 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole

5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole (PubChem CID 11740820) has the molecular formula C20H24ClN5O and a molecular weight of 385.90 g/mol. Its IUPAC name is 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole.

Molecular Properties

Compound Name5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
PubChem CID11740820
Molecular FormulaC20H24ClN5O
Molecular Weight385.90 g/mol
Exact Mass385.17
IUPAC Name5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole
SMILESCOc1ccccc1N1CCN(CCCn2nc3ccc(Cl)cc3n2)CC1
InChIInChI=1S/C20H24ClN5O/c1-27-20-6-3-2-5-19(20)25-13-11-24(12-14-25)9-4-10-26-22-17-8-7-16(21)15-18(17)23-26/h2-3,5-8,15H,4,9-14H2,1H3
InChIKeyNNEHKFSVQQVMGV-UHFFFAOYSA-N
XLogP3.31
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.90
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
5-chloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-2-methylbenzenesulfonamide
CID 42388721
5-chloro-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-3H-indol-2-one
CID 10597866
2,5-dichloro-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzamide
CID 42273217
1-(2-methoxyphenyl)-4-pent-4-ynylpiperazine
CID 112548439
1-(2-methoxyphenyl)-4-[2-(triazol-2-yl)ethyl]piperazine
CID 155941923
4-[4-(2-methoxyphenyl)piperazin-1-yl]butanenitrile
CID 586071
1-(chloromethyl)-4-(2-methoxyphenyl)piperazine
CID 19434771
1-[2-(4-chlorophenyl)sulfonylethyl]-4-(2-methoxyphenyl)piperazine
CID 36839234
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
6-chloro-3-[1-[6-[4-(2-methoxyphenyl)piperazin-1-yl]hexyl]piperidin-4-yl]-1H-indole
CID 18323647
5-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]-2H-benzotriazole
CID 11233507

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The IUPAC name of 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole (CID 11740820) is 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole.
What is the SMILES notation for 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The canonical SMILES for 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole is COc1ccccc1N1CCN(CCCn2nc3ccc(Cl)cc3n2)CC1.
What is the InChIKey of 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
The InChIKey is NNEHKFSVQQVMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O/c1-27-20-6-3-2-5-19(20)25-13-11-24(12-14-25)9-4-10-26-22-17-8-7-16(21)15-18(17)23-26/h2-3,5-8,15H,4,9-14H2,1H3.
What are the key properties of 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole?
5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole has a molecular weight of 385.90 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]benzotriazole is sourced from PubChem (CID 11740820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).