[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride

C18H25Cl3N6O — CID 119843531

IUPAC[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cn(C2CCNCC2)nn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN6O.2ClH/c19-14-1-3-15(4-2-14)23-9-11-24(12-10-23)18(26)17-13-25(22-21-17)16-5-7-20-8-6-16;;/h1-4,13,16,20H,5-12H2;2*1H
InChIKeyOQFACRKAZLPDTH-UHFFFAOYSA-N
MW447.80 g/mol
LogP2.66
Rot. Bonds3

About [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride

[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride (PubChem CID 119843531) has the molecular formula C18H25Cl3N6O and a molecular weight of 447.80 g/mol. Its IUPAC name is [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride.

Molecular Properties

Compound Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
PubChem CID119843531
Molecular FormulaC18H25Cl3N6O
Molecular Weight447.80 g/mol
Exact Mass446.12
IUPAC Name[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
SMILESCl.Cl.O=C(c1cn(C2CCNCC2)nn1)N1CCN(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C18H23ClN6O.2ClH/c19-14-1-3-15(4-2-14)23-9-11-24(12-10-23)18(26)17-13-25(22-21-17)16-5-7-20-8-6-16;;/h1-4,13,16,20H,5-12H2;2*1H
InChIKeyOQFACRKAZLPDTH-UHFFFAOYSA-N
XLogP2.66
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.80
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119843532
[4-(2,5-difluorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 119887866
(4-phenylpiperidin-1-yl)-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119703030
1-(1-piperidin-4-yltriazole-4-carbonyl)azetidine-3-carboxylic acid
CID 79311734
2-(diethylamino)-1-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]ethanone;dihydrochloride
CID 119875924
[4-(3-methylbutyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride
CID 91642263
(3-methoxyphenyl)-[4-(1-piperidin-4-yltriazole-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
CID 119727463
[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-(1-cycloheptyltriazol-4-yl)methanone
CID 42357046
[4-(N-methylanilino)piperidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119900181
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 115965181
(4-methoxyphenyl)-[1-(1-piperidin-4-yltriazole-4-carbonyl)piperidin-4-yl]methanone;hydrochloride
CID 119699792
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone
CID 119832564

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The IUPAC name of [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride (CID 119843531) is [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride.
What is the SMILES notation for [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The canonical SMILES for [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride is Cl.Cl.O=C(c1cn(C2CCNCC2)nn1)N1CCN(c2ccc(Cl)cc2)CC1.
What is the InChIKey of [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
The InChIKey is OQFACRKAZLPDTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN6O.2ClH/c19-14-1-3-15(4-2-14)23-9-11-24(12-10-23)18(26)17-13-25(22-21-17)16-5-7-20-8-6-16;;/h1-4,13,16,20H,5-12H2;2*1H.
What are the key properties of [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride?
[4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride has a molecular weight of 447.80 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)piperazin-1-yl]-(1-piperidin-4-yltriazol-4-yl)methanone;dihydrochloride is sourced from PubChem (CID 119843531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).