N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

C14H20F3N3O — CID 155378449

IUPACN-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCON1CCC[C@@H](C)[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O/c1-10-4-3-7-20(21-2)12(10)9-19-13-6-5-11(8-18-13)14(15,16)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1
InChIKeyJPRZFKKKBXPEPN-ZYHUDNBSSA-N
MW303.33 g/mol
LogP3.17
Rot. Bonds4

About N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine

N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 155378449) has the molecular formula C14H20F3N3O and a molecular weight of 303.33 g/mol. Its IUPAC name is N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID155378449
Molecular FormulaC14H20F3N3O
Molecular Weight303.33 g/mol
Exact Mass303.16
IUPAC NameN-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCON1CCC[C@@H](C)[C@H]1CNc1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H20F3N3O/c1-10-4-3-7-20(21-2)12(10)9-19-13-6-5-11(8-18-13)14(15,16)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1
InChIKeyJPRZFKKKBXPEPN-ZYHUDNBSSA-N
XLogP3.17
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine (CID 155378449) is N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is CON1CCC[C@@H](C)[C@H]1CNc1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is JPRZFKKKBXPEPN-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H20F3N3O/c1-10-4-3-7-20(21-2)12(10)9-19-13-6-5-11(8-18-13)14(15,16)17/h5-6,8,10,12H,3-4,7,9H2,1-2H3,(H,18,19)/t10-,12-/m1/s1.
What are the key properties of N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 303.33 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S,3R)-1-methoxy-3-methylpiperidin-2-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 155378449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).