4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride

C13H17Cl3N4 — CID 155973122

IUPAC4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C13H15ClN4.2ClH/c14-11-3-1-10(2-4-11)13-9-18(17-16-13)12-5-7-15-8-6-12;;/h1-4,9,12,15H,5-8H2;2*1H
InChIKeyLRKDIAIGGVQART-UHFFFAOYSA-N
MW335.67 g/mol
LogP3.37
Rot. Bonds2

About 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride

4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride (PubChem CID 155973122) has the molecular formula C13H17Cl3N4 and a molecular weight of 335.67 g/mol. Its IUPAC name is 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride.

Molecular Properties

Compound Name4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
PubChem CID155973122
Molecular FormulaC13H17Cl3N4
Molecular Weight335.67 g/mol
Exact Mass334.05
IUPAC Name4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride
SMILESCl.Cl.Clc1ccc(-c2cn(C3CCNCC3)nn2)cc1
InChIInChI=1S/C13H15ClN4.2ClH/c14-11-3-1-10(2-4-11)13-9-18(17-16-13)12-5-7-15-8-6-12;;/h1-4,9,12,15H,5-8H2;2*1H
InChIKeyLRKDIAIGGVQART-UHFFFAOYSA-N
XLogP3.37
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.67
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-methylphenyl)triazol-1-yl]piperidine
CID 21219151
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119843531
3-(1-piperidin-4-yltriazol-4-yl)-2,5-dihydro-1,2,4-oxadiazole
CID 146448623
(2S,4R)-4-[4-(4-chlorophenyl)triazol-1-yl]-N-methylpyrrolidine-2-carboxamide
CID 56701877
6-chloro-4-methyl-2-(1-piperidin-4-yltriazol-4-yl)-1H-benzimidazole
CID 70747994
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
4-(4-chloropyrazol-1-yl)piperidine;hydrochloride
CID 71758511
(1-piperidin-4-yltriazol-4-yl)methanol;hydrochloride
CID 86262656
N-[2-(4-chlorophenoxy)ethyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119690029
N-[4-(3-chlorophenyl)-2-methylphenyl]-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119769723
N-(5-chloro-2-piperidin-1-ylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;dihydrochloride
CID 119829337
N-(5-chloro-2-ethylsulfanylphenyl)-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119776568

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride?
The IUPAC name of 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride (CID 155973122) is 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride.
What is the SMILES notation for 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride?
The canonical SMILES for 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride is Cl.Cl.Clc1ccc(-c2cn(C3CCNCC3)nn2)cc1.
What is the InChIKey of 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride?
The InChIKey is LRKDIAIGGVQART-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4.2ClH/c14-11-3-1-10(2-4-11)13-9-18(17-16-13)12-5-7-15-8-6-12;;/h1-4,9,12,15H,5-8H2;2*1H.
What are the key properties of 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride?
4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride has a molecular weight of 335.67 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chlorophenyl)triazol-1-yl]piperidine;dihydrochloride is sourced from PubChem (CID 155973122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).