(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid

C12H15F3N4O2 — CID 68631477

IUPAC(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N(C(=O)O)C1CNCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(5-18-4-7)19(11(20)21)10-1-2-17-6-9(10)16/h1-2,6-8,18H,3-5,16H2,(H,20,21)
InChIKeyRJJYLYYJSVRUIB-UHFFFAOYSA-N
MW304.27 g/mol
LogP1.69
Rot. Bonds2

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

(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid (PubChem CID 68631477) has the molecular formula C12H15F3N4O2 and a molecular weight of 304.27 g/mol. Its IUPAC name is (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
PubChem CID68631477
Molecular FormulaC12H15F3N4O2
Molecular Weight304.27 g/mol
Exact Mass304.11
IUPAC Name(3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N(C(=O)O)C1CNCC(C(F)(F)F)C1
InChIInChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(5-18-4-7)19(11(20)21)10-1-2-17-6-9(10)16/h1-2,6-8,18H,3-5,16H2,(H,20,21)
InChIKeyRJJYLYYJSVRUIB-UHFFFAOYSA-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 (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid (CID 68631477) is (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid is Nc1cnccc1N(C(=O)O)C1CNCC(C(F)(F)F)C1.
What is the InChIKey of (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
The InChIKey is RJJYLYYJSVRUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N4O2/c13-12(14,15)7-3-8(5-18-4-7)19(11(20)21)10-1-2-17-6-9(10)16/h1-2,6-8,18H,3-5,16H2,(H,20,21).
What are the key properties of (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid?
(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 (3-amino-4-pyridinyl)-[5-(trifluoromethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 68631477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).