5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

C12H16F3N3O — CID 171615159

IUPAC5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESCOc1cc(N)cnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-10-6-9(16)7-17-11(10)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyDTXFDDVIOGEXTE-UHFFFAOYSA-N
MW275.27 g/mol
LogP2.45
Rot. Bonds2

About 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine

5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (PubChem CID 171615159) has the molecular formula C12H16F3N3O and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
PubChem CID171615159
Molecular FormulaC12H16F3N3O
Molecular Weight275.27 g/mol
Exact Mass275.12
IUPAC Name5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
SMILESCOc1cc(N)cnc1N1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H16F3N3O/c1-19-10-6-9(16)7-17-11(10)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3
InChIKeyDTXFDDVIOGEXTE-UHFFFAOYSA-N
XLogP2.45
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S,6R)-8-(5-methoxy-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 9855936
(1R,6S)-3-(5-methoxypyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 16099074
(1S,6R)-3-(5-methoxy-3-pyridinyl)-3,8-diazabicyclo[4.2.0]octane
CID 16099103
(1R,6S)-8-(5-methoxy-pyridin-3-yl)-3,8-diaza-bicyclo[4.2.0]octane
CID 9942613
(3-Methoxy-pyridin-2-yl)-(6-methyl-pyridin-2-yl)-amine
CID 11413259
1-(5-Methoxypyridin-3-yl)piperazine
CID 11521234
US10266549, Example 230
CID 118905528
(3-Ethoxy-pyridin-2-yl)-(6-trifluoromethyl-pyridin-2-yl)-amine
CID 11231404
N-(5-methoxypyridin-2-yl)-4-[3-(trifluoromethyl)phenyl]piperazine-1-carbothioamide
CID 49853110
1-(5-Methoxypyridin-2-yl)piperazine
CID 19032447
1-(3-Methoxypyridin-2-yl)piperazine dihydrochloride
CID 53407115
N-ethyl-6-(5-methoxy-3-pyridinyl)pyrazin-2-amine
CID 81895685

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The IUPAC name of 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine (CID 171615159) is 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The canonical SMILES for 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is COc1cc(N)cnc1N1CCC(C(F)(F)F)CC1.
What is the InChIKey of 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
The InChIKey is DTXFDDVIOGEXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3O/c1-19-10-6-9(16)7-17-11(10)18-4-2-8(3-5-18)12(13,14)15/h6-8H,2-5,16H2,1H3.
What are the key properties of 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine?
5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine has a molecular weight of 275.27 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6-[4-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 171615159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).