1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole

C18H17Cl2FN4 — CID 3229039

IUPAC1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole
SMILESFc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H17Cl2FN4/c19-15-2-1-3-16(20)14(15)11-24-8-6-13(7-9-24)25-18-5-4-12(21)10-17(18)22-23-25/h1-5,10,13H,6-9,11H2
InChIKeyHRLKCUOCTZPUNS-UHFFFAOYSA-N
MW379.27 g/mol
LogP4.71
Rot. Bonds3

About 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole

1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole (PubChem CID 3229039) has the molecular formula C18H17Cl2FN4 and a molecular weight of 379.27 g/mol. Its IUPAC name is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole.

Molecular Properties

Compound Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole
PubChem CID3229039
Molecular FormulaC18H17Cl2FN4
Molecular Weight379.27 g/mol
Exact Mass378.08
IUPAC Name1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole
SMILESFc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H17Cl2FN4/c19-15-2-1-3-16(20)14(15)11-24-8-6-13(7-9-24)25-18-5-4-12(21)10-17(18)22-23-25/h1-5,10,13H,6-9,11H2
InChIKeyHRLKCUOCTZPUNS-UHFFFAOYSA-N
XLogP4.71
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.27
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Dibutyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-amine
CID 9909978
Butyl-[3-(2,4-dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-pentyl-amine
CID 10388138
1-[[4-(2,4-Dichlorophenyl)phenyl]methyl]benzotriazole
CID 155518831
1-[[4-(2-Chloro-4-fluorophenyl)phenyl]methyl]benzotriazole
CID 155523303
1-[[6-(4-Chloro-2-fluorophenyl)-3-pyridinyl]methyl]benzotriazole
CID 155540333
1-[[4-(4-Chloro-2-fluorophenyl)phenyl]methyl]benzotriazole
CID 155551721
1-[[4-[2-Chloro-4-(trifluoromethyl)phenyl]phenyl]methyl]benzotriazole
CID 155560423
5-Methyl-7-(dipropylamino)-2-methyl-3-(2,4-dichlorophenyl)pyrazolo[4,3-b]pyridine
CID 9908466
1-(2-chlorobenzyl)-1H-benzo[d][1,2,3]triazole
CID 889397
1-[(4-Chlorophenyl)methyl]-1H-1,2,3-benzotriazole
CID 894883
Butyl-[3-(2,4-dichloro-phenyl)-1-ethyl-5-methyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-ethyl-amine
CID 9801390
[3-(2,4-Dichloro-phenyl)-1,5-dimethyl-1H-pyrazolo[4,3-b]pyridin-7-yl]-dipropyl-amine
CID 9952376

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole?
The IUPAC name of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole (CID 3229039) is 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole.
What is the SMILES notation for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole?
The canonical SMILES for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole is Fc1ccc2c(c1)nnn2C1CCN(Cc2c(Cl)cccc2Cl)CC1.
What is the InChIKey of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole?
The InChIKey is HRLKCUOCTZPUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2FN4/c19-15-2-1-3-16(20)14(15)11-24-8-6-13(7-9-24)25-18-5-4-12(21)10-17(18)22-23-25/h1-5,10,13H,6-9,11H2.
What are the key properties of 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole?
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole has a molecular weight of 379.27 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,6-dichlorophenyl)methyl]piperidin-4-yl]-5-fluorobenzotriazole is sourced from PubChem (CID 3229039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).