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

C13H21ClF3N3S — CID 120967341

IUPAC3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(N)C(C)(C)C2)s1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-8-18-11(13(14,15)16)9(20-8)6-19-5-4-10(17)12(2,3)7-19;/h10H,4-7,17H2,1-3H3;1H
InChIKeyIOKIDKWCKGQEDW-UHFFFAOYSA-N
MW343.85 g/mol
LogP3.45
Rot. Bonds2

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

3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (PubChem CID 120967341) has the molecular formula C13H21ClF3N3S and a molecular weight of 343.85 g/mol. Its IUPAC name is 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
PubChem CID120967341
Molecular FormulaC13H21ClF3N3S
Molecular Weight343.85 g/mol
Exact Mass343.11
IUPAC Name3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
SMILESCc1nc(C(F)(F)F)c(CN2CCC(N)C(C)(C)C2)s1.Cl
InChIInChI=1S/C13H20F3N3S.ClH/c1-8-18-11(13(14,15)16)9(20-8)6-19-5-4-10(17)12(2,3)7-19;/h10H,4-7,17H2,1-3H3;1H
InChIKeyIOKIDKWCKGQEDW-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.85
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

(3S)-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]pyrrolidin-3-amine
CID 120966565
[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]methanamine;hydrochloride
CID 120965877
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120966121
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158
1-[1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-3-yl]ethanamine
CID 120966315
N-ethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxamide
CID 86791160
3,3-dimethyl-1-[(3-methylthiophen-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120781863
3,3-dimethyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 120776462
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120847090
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
2-methyl-5-[(2-methylpiperazin-1-yl)methyl]-4-(trifluoromethyl)-1,3-thiazole;hydrochloride
CID 120966027
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-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The IUPAC name of 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride (CID 120967341) is 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride.
What is the SMILES notation for 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The canonical SMILES for 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is Cc1nc(C(F)(F)F)c(CN2CCC(N)C(C)(C)C2)s1.Cl.
What is the InChIKey of 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
The InChIKey is IOKIDKWCKGQEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3N3S.ClH/c1-8-18-11(13(14,15)16)9(20-8)6-19-5-4-10(17)12(2,3)7-19;/h10H,4-7,17H2,1-3H3;1H.
What are the key properties of 3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride?
3,3-dimethyl-1-[[2-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride has a molecular weight of 343.85 g/mol, XLogP of 3.45, 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-methyl-4-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride is sourced from PubChem (CID 120967341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).