(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

C13H18F3N3O — CID 56864829

IUPAC(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2cc(C(F)(F)F)cc(C)n2)CC[C@H]1N
InChIInChI=1S/C13H18F3N3O/c1-8-5-9(13(14,15)16)6-12(18-8)19-4-3-10(17)11(7-19)20-2/h5-6,10-11H,3-4,7,17H2,1-2H3/t10-,11+/m1/s1
InChIKeyNSQSWZCWTOIQTB-MNOVXSKESA-N
MW289.30 g/mol
LogP1.96
Rot. Bonds2

About (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine

(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (PubChem CID 56864829) has the molecular formula C13H18F3N3O and a molecular weight of 289.30 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
PubChem CID56864829
Molecular FormulaC13H18F3N3O
Molecular Weight289.30 g/mol
Exact Mass289.14
IUPAC Name(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine
SMILESCO[C@H]1CN(c2cc(C(F)(F)F)cc(C)n2)CC[C@H]1N
InChIInChI=1S/C13H18F3N3O/c1-8-5-9(13(14,15)16)6-12(18-8)19-4-3-10(17)11(7-19)20-2/h5-6,10-11H,3-4,7,17H2,1-2H3/t10-,11+/m1/s1
InChIKeyNSQSWZCWTOIQTB-MNOVXSKESA-N
XLogP1.96
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine (CID 56864829) is (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is CO[C@H]1CN(c2cc(C(F)(F)F)cc(C)n2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
The InChIKey is NSQSWZCWTOIQTB-MNOVXSKESA-N. The full InChI is InChI=1S/C13H18F3N3O/c1-8-5-9(13(14,15)16)6-12(18-8)19-4-3-10(17)11(7-19)20-2/h5-6,10-11H,3-4,7,17H2,1-2H3/t10-,11+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine?
(3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine has a molecular weight of 289.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-amine is sourced from PubChem (CID 56864829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).