N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride

C12H18Cl2F3N3 — CID 146077841

IUPACN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
SMILESCN(c1ncccc1C(F)(F)F)C1CCCNC1.Cl.Cl
InChIInChI=1S/C12H16F3N3.2ClH/c1-18(9-4-2-6-16-8-9)11-10(12(13,14)15)5-3-7-17-11;;/h3,5,7,9,16H,2,4,6,8H2,1H3;2*1H
InChIKeyRHIXJQRZPJXZST-UHFFFAOYSA-N
MW332.20 g/mol
LogP3.13
Rot. Bonds2

About N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride

N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride (PubChem CID 146077841) has the molecular formula C12H18Cl2F3N3 and a molecular weight of 332.20 g/mol. Its IUPAC name is N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
PubChem CID146077841
Molecular FormulaC12H18Cl2F3N3
Molecular Weight332.20 g/mol
Exact Mass331.08
IUPAC NameN-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride
SMILESCN(c1ncccc1C(F)(F)F)C1CCCNC1.Cl.Cl
InChIInChI=1S/C12H16F3N3.2ClH/c1-18(9-4-2-6-16-8-9)11-10(12(13,14)15)5-3-7-17-11;;/h3,5,7,9,16H,2,4,6,8H2,1H3;2*1H
InChIKeyRHIXJQRZPJXZST-UHFFFAOYSA-N
XLogP3.13
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.20
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(azetidin-3-yl)-N-methyl-3-(trifluoromethyl)pyridin-2-amine
CID 66181620
N-methyl-N-piperidin-3-ylpyridin-3-amine
CID 83698004
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 71641080
N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine
CID 63319382
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871
N-methyl-3-methylsulfonyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 114599260
N-methyl-N-piperidin-3-ylquinazolin-4-amine
CID 55249323
1-tert-butyl-3-[methyl(piperidin-3-yl)amino]pyrazin-2-one
CID 63644296
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106618925
N-ethyl-N-[2-(trifluoromethyl)phenyl]piperidin-3-amine
CID 63636998
N-methyl-N-(3-methylsulfonyl-2-pyridinyl)azepan-4-amine
CID 107174187
3-methoxy-N-methyl-N-[(3R)-piperidin-3-yl]quinoxalin-2-amine;hydrochloride
CID 71643020

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride?
The IUPAC name of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride (CID 146077841) is N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride.
What is the SMILES notation for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride?
The canonical SMILES for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride is CN(c1ncccc1C(F)(F)F)C1CCCNC1.Cl.Cl.
What is the InChIKey of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride?
The InChIKey is RHIXJQRZPJXZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3.2ClH/c1-18(9-4-2-6-16-8-9)11-10(12(13,14)15)5-3-7-17-11;;/h3,5,7,9,16H,2,4,6,8H2,1H3;2*1H.
What are the key properties of N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride?
N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride has a molecular weight of 332.20 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-piperidin-3-yl-3-(trifluoromethyl)pyridin-2-amine;dihydrochloride is sourced from PubChem (CID 146077841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).