1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

C15H21ClFN3S — CID 120847090

IUPAC1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2nc3ccc(F)cc3s2)CCC1N.Cl
InChIInChI=1S/C15H20FN3S.ClH/c1-15(2)9-19(6-5-13(15)17)8-14-18-11-4-3-10(16)7-12(11)20-14;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyFOGIEQPGPSWBMC-UHFFFAOYSA-N
MW329.87 g/mol
LogP3.42
Rot. Bonds2

About 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride

1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (PubChem CID 120847090) has the molecular formula C15H21ClFN3S and a molecular weight of 329.87 g/mol. Its IUPAC name is 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
PubChem CID120847090
Molecular FormulaC15H21ClFN3S
Molecular Weight329.87 g/mol
Exact Mass329.11
IUPAC Name1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
SMILESCC1(C)CN(Cc2nc3ccc(F)cc3s2)CCC1N.Cl
InChIInChI=1S/C15H20FN3S.ClH/c1-15(2)9-19(6-5-13(15)17)8-14-18-11-4-3-10(16)7-12(11)20-14;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H
InChIKeyFOGIEQPGPSWBMC-UHFFFAOYSA-N
XLogP3.42
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2,5-difluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120775152
6-fluoro-2-[[(3S)-3-methylpiperazin-1-yl]methyl]-1,3-benzothiazole;hydrochloride
CID 120845803
6-fluoro-2-[(3-methylpiperazin-1-yl)methyl]-1,3-benzothiazole
CID 120840187
1-[(2-chloro-4-fluorophenyl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120775728
3,3-dimethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-4-amine
CID 120781587
1-[(6-methoxy-1,3-benzothiazol-2-yl)methyl]piperidin-4-amine;hydrochloride
CID 120834481
6-fluoro-2-[[(2S)-2-methylpiperazin-1-yl]methyl]-1,3-benzothiazole;hydrochloride
CID 120839089
1-[(5-chloro-1,3-thiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine
CID 120781982
1-[(2-ethyl-1,3-thiazol-5-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781712
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
3,3-dimethyl-1-[(5-propan-2-yl-1,3-thiazol-2-yl)methyl]piperidin-4-amine
CID 120781510
3,3-dimethyl-1-[[2-(trifluoromethyl)-1,3-thiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 120847158

Frequently Asked Questions

What is the IUPAC name of 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The IUPAC name of 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride (CID 120847090) is 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride.
What is the SMILES notation for 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The canonical SMILES for 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is CC1(C)CN(Cc2nc3ccc(F)cc3s2)CCC1N.Cl.
What is the InChIKey of 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
The InChIKey is FOGIEQPGPSWBMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3S.ClH/c1-15(2)9-19(6-5-13(15)17)8-14-18-11-4-3-10(16)7-12(11)20-14;/h3-4,7,13H,5-6,8-9,17H2,1-2H3;1H.
What are the key properties of 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride?
1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride has a molecular weight of 329.87 g/mol, XLogP of 3.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-fluoro-1,3-benzothiazol-2-yl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride is sourced from PubChem (CID 120847090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).