3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

C12H19ClF3N3S — CID 120847158

IUPAC3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cnc(C(F)(F)F)s2)CCC1N.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-11(2)7-18(4-3-9(11)16)6-8-5-17-10(19-8)12(13,14)15;/h5,9H,3-4,6-7,16H2,1-2H3;1H
InChIKeyAFLNMAOLALVCLZ-UHFFFAOYSA-N
MW329.82 g/mol
LogP3.14
Rot. Bonds2

About 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride

3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 120847158) has the molecular formula C12H19ClF3N3S and a molecular weight of 329.82 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID120847158
Molecular FormulaC12H19ClF3N3S
Molecular Weight329.82 g/mol
Exact Mass329.09
IUPAC Name3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2cnc(C(F)(F)F)s2)CCC1N.Cl
InChIInChI=1S/C12H18F3N3S.ClH/c1-11(2)7-18(4-3-9(11)16)6-8-5-17-10(19-8)12(13,14)15;/h5,9H,3-4,6-7,16H2,1-2H3;1H
InChIKeyAFLNMAOLALVCLZ-UHFFFAOYSA-N
XLogP3.14
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.82
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine
CID 120834528
5-[(4-amino-3,3-dimethylpiperidin-1-yl)methyl]-N,N-dimethyl-1,3-thiazol-2-amine
CID 120782171
3,3-dimethyl-1-(1,3-thiazol-5-ylmethyl)piperidin-4-amine
CID 120782277
N-(cyclopropylmethyl)-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120841624
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120967341
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
N-methyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-amine
CID 120838020
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 120776462
3,3-dimethyl-1-[(5-phenylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120782200
5-[(3-methylpiperazin-1-yl)methyl]-2-(trifluoromethyl)-1,3-thiazole
CID 120840264
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (CID 120847158) is 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is CC1(C)CN(Cc2cnc(C(F)(F)F)s2)CCC1N.Cl.
What is the InChIKey of 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is AFLNMAOLALVCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3S.ClH/c1-11(2)7-18(4-3-9(11)16)6-8-5-17-10(19-8)12(13,14)15;/h5,9H,3-4,6-7,16H2,1-2H3;1H.
What are the key properties of 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 329.82 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120847158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).