1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C16H23Cl2N5 — CID 120774498

IUPAC1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCC1N.Cl
InChIInChI=1S/C16H22ClN5.ClH/c1-16(2)11-21(8-7-15(16)18)9-13-10-22(20-19-13)14-5-3-12(17)4-6-14;/h3-6,10,15H,7-9,11,18H2,1-2H3;1H
InChIKeyHRITVOMUUBFIEM-UHFFFAOYSA-N
MW356.30 g/mol
LogP2.90
Rot. Bonds3

About 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120774498) has the molecular formula C16H23Cl2N5 and a molecular weight of 356.30 g/mol. Its IUPAC name is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120774498
Molecular FormulaC16H23Cl2N5
Molecular Weight356.30 g/mol
Exact Mass355.13
IUPAC Name1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCC1N.Cl
InChIInChI=1S/C16H22ClN5.ClH/c1-16(2)11-21(8-7-15(16)18)9-13-10-22(20-19-13)14-5-3-12(17)4-6-14;/h3-6,10,15H,7-9,11,18H2,1-2H3;1H
InChIKeyHRITVOMUUBFIEM-UHFFFAOYSA-N
XLogP2.90
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
[1-(4-chlorophenyl)triazol-4-yl]methanamine;hydrochloride
CID 178201309
1-[(6-methoxypyridazin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 114268775
(Z)-N-[4-[[1-(4-chlorophenyl)triazol-4-yl]methyl]piperazin-1-yl]ethanimine
CID 70951101
1-[(6-chloroimidazo[1,2-a]pyridin-3-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781403
1-[(3,4-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775322
1-[(6-chloro-1-methylbenzimidazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782258
3,3-dimethyl-1-(1,3-oxazol-4-ylmethyl)piperidin-4-amine
CID 120847083
3,3-dimethyl-1-(quinolin-2-ylmethyl)piperidin-4-amine;dihydrochloride
CID 120774118
(2R)-1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119914161
1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
1-[1-(4-chlorophenyl)triazol-4-yl]propan-2-one
CID 117167684

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120774498) is 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2cn(-c3ccc(Cl)cc3)nn2)CCC1N.Cl.
What is the InChIKey of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is HRITVOMUUBFIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN5.ClH/c1-16(2)11-21(8-7-15(16)18)9-13-10-22(20-19-13)14-5-3-12(17)4-6-14;/h3-6,10,15H,7-9,11,18H2,1-2H3;1H.
What are the key properties of 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 356.30 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(4-chlorophenyl)triazol-4-yl]methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120774498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).