[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid

C12H15F3N4O2 — CID 90279679

IUPAC[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1C[C@@H](NC(=O)O)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(18-11(20)21)6-19(5-7)10-1-2-17-4-9(10)16/h1-2,4,7-8,18H,3,5-6,16H2,(H,20,21)/t7-,8+/m1/s1
InChIKeyOHMNXLNDAOLXCR-SFYZADRCSA-N
MW304.27 g/mol
LogP1.69
Rot. Bonds2

About [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid

[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid (PubChem CID 90279679) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
PubChem CID90279679
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1C[C@@H](NC(=O)O)C[C@@H](C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(18-11(20)21)6-19(5-7)10-1-2-17-4-9(10)16/h1-2,4,7-8,18H,3,5-6,16H2,(H,20,21)/t7-,8+/m1/s1
InChIKeyOHMNXLNDAOLXCR-SFYZADRCSA-N
XLogP1.69
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid (CID 90279679) is [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid is Nc1cnccc1N1C[C@@H](NC(=O)O)C[C@@H](C(F)(F)F)C1.
What is the InChIKey of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The InChIKey is OHMNXLNDAOLXCR-SFYZADRCSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(18-11(20)21)6-19(5-7)10-1-2-17-4-9(10)16/h1-2,4,7-8,18H,3,5-6,16H2,(H,20,21)/t7-,8+/m1/s1.
What are the key properties of [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
[(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid has a molecular weight of 304.27 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-1-(3-amino-4-pyridinyl)-5-(trifluoromethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 90279679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).