7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

C16H22F3N3 — CID 90287366

IUPAC7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCC1CCc2c1ncc(N)c2N1C[C@@H](C)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H22F3N3/c1-9-5-11(16(17,18)19)8-22(7-9)15-12-4-3-10(2)14(12)21-6-13(15)20/h6,9-11H,3-5,7-8,20H2,1-2H3/t9-,10?,11+/m0/s1
InChIKeyIANHHYXEMMLOIW-KHUXNXPUSA-N
MW313.37 g/mol
LogP3.74
Rot. Bonds1

About 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine

7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (PubChem CID 90287366) has the molecular formula C16H22F3N3 and a molecular weight of 313.37 g/mol. Its IUPAC name is 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.

Molecular Properties

Compound Name7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
PubChem CID90287366
Molecular FormulaC16H22F3N3
Molecular Weight313.37 g/mol
Exact Mass313.18
IUPAC Name7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
SMILESCC1CCc2c1ncc(N)c2N1C[C@@H](C)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C16H22F3N3/c1-9-5-11(16(17,18)19)8-22(7-9)15-12-4-3-10(2)14(12)21-6-13(15)20/h6,9-11H,3-5,7-8,20H2,1-2H3/t9-,10?,11+/m0/s1
InChIKeyIANHHYXEMMLOIW-KHUXNXPUSA-N
XLogP3.74
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The IUPAC name of 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine (CID 90287366) is 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine.
What is the SMILES notation for 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The canonical SMILES for 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is CC1CCc2c1ncc(N)c2N1C[C@@H](C)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
The InChIKey is IANHHYXEMMLOIW-KHUXNXPUSA-N. The full InChI is InChI=1S/C16H22F3N3/c1-9-5-11(16(17,18)19)8-22(7-9)15-12-4-3-10(2)14(12)21-6-13(15)20/h6,9-11H,3-5,7-8,20H2,1-2H3/t9-,10?,11+/m0/s1.
What are the key properties of 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine?
7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine has a molecular weight of 313.37 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-[(3S,5R)-3-methyl-5-(trifluoromethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine is sourced from PubChem (CID 90287366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).