3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride

C12H16Cl2F3N3 — CID 71641080

IUPAC3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCNC1.Cl
InChIInChI=1S/C12H15ClF3N3.ClH/c1-19(9-3-2-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16;/h5-6,9,17H,2-4,7H2,1H3;1H/t9-;/m0./s1
InChIKeyVCSBXGOYDSRKIS-FVGYRXGTSA-N
MW330.18 g/mol
LogP3.36
Rot. Bonds2

About 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride

3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride (PubChem CID 71641080) has the molecular formula C12H16Cl2F3N3 and a molecular weight of 330.18 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
PubChem CID71641080
Molecular FormulaC12H16Cl2F3N3
Molecular Weight330.18 g/mol
Exact Mass329.07
IUPAC Name3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
SMILESCN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCNC1.Cl
InChIInChI=1S/C12H15ClF3N3.ClH/c1-19(9-3-2-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16;/h5-6,9,17H,2-4,7H2,1H3;1H/t9-;/m0./s1
InChIKeyVCSBXGOYDSRKIS-FVGYRXGTSA-N
XLogP3.36
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.18
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-methylcyclohexane-1,4-diamine
CID 79115291
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-(2-chlorocyclohexyl)-N-methyl-5-(trifluoromethyl)pyridin-2-amine
CID 102637871
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
CID 146077841
3-chloro-2-[2-[(3R)-piperidin-3-yl]ethoxy]-5-(trifluoromethyl)pyridine
CID 94409728
3-chloro-2-(2-piperidin-3-ylethoxy)-5-(trifluoromethyl)pyridine
CID 62358361
5-bromo-3-chloro-N-cyclobutyl-N-methylpyridin-2-amine
CID 103580299
5-bromo-N-methyl-N-piperidin-3-ylpyrimidin-4-amine
CID 66320623

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride (CID 71641080) is 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride is CN(c1ncc(C(F)(F)F)cc1Cl)[C@H]1CCCNC1.Cl.
What is the InChIKey of 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride?
The InChIKey is VCSBXGOYDSRKIS-FVGYRXGTSA-N. The full InChI is InChI=1S/C12H15ClF3N3.ClH/c1-19(9-3-2-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16;/h5-6,9,17H,2-4,7H2,1H3;1H/t9-;/m0./s1.
What are the key properties of 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride?
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride has a molecular weight of 330.18 g/mol, XLogP of 3.36, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71641080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).