[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid

C11H15FN4O2 — CID 69043410

IUPAC[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1CC(F)CC(NC(=O)O)C1
InChIInChI=1S/C11H15FN4O2/c12-7-3-8(15-11(17)18)6-16(5-7)10-1-2-14-4-9(10)13/h1-2,4,7-8,15H,3,5-6,13H2,(H,17,18)
InChIKeyRZLGKFRTIAITEW-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.85
Rot. Bonds2

About [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid

[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid (PubChem CID 69043410) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
PubChem CID69043410
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1CC(F)CC(NC(=O)O)C1
InChIInChI=1S/C11H15FN4O2/c12-7-3-8(15-11(17)18)6-16(5-7)10-1-2-14-4-9(10)13/h1-2,4,7-8,15H,3,5-6,13H2,(H,17,18)
InChIKeyRZLGKFRTIAITEW-UHFFFAOYSA-N
XLogP0.85
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[(3S,5R)-1-(3-amino-4-pyridinyl)-5-methoxypiperidin-3-yl]carbamic acid
CID 67347099
[1-(4-amino-3-pyridinyl)piperidin-3-yl]carbamic acid
CID 70982126
tert-butyl N-[1-(3-amino-4-pyridinyl)-5-methylpiperidin-3-yl]carbamate
CID 58386783
tert-butyl N-[(3S,5R)-1-(3-amino-4-pyridinyl)-5-iodopiperidin-3-yl]carbamate
CID 89152155
4-[(5R)-3-amino-5-methylpiperidin-1-yl]pyridin-3-amine
CID 145199464
[(3R,4R,5S)-1-(3-amino-4-pyridinyl)-5-methyl-4-(triazol-1-yl)piperidin-3-yl]carbamic acid
CID 90279620
tert-butyl N-[(3S)-1-(3-amino-4-pyridinyl)piperidin-3-yl]carbamate
CID 59332360
[1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69046948
tert-butyl N-[1-(3-amino-4-pyridinyl)piperidin-4-yl]carbamate
CID 59332173
tert-butyl N-[(3R,4R)-1-(3-amino-4-pyridinyl)-4-fluoropiperidin-3-yl]carbamate
CID 58386807
[(5R)-5-[tert-butyl(dimethyl)silyl]oxy-1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 68572610
[5-[tert-butyl(dimethyl)silyl]oxy-1-(3-nitro-4-pyridinyl)piperidin-3-yl]carbamic acid
CID 69043143

Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid?
The IUPAC name of [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid (CID 69043410) is [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid is Nc1cnccc1N1CC(F)CC(NC(=O)O)C1.
What is the InChIKey of [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid?
The InChIKey is RZLGKFRTIAITEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c12-7-3-8(15-11(17)18)6-16(5-7)10-1-2-14-4-9(10)13/h1-2,4,7-8,15H,3,5-6,13H2,(H,17,18).
What are the key properties of [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid?
[1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid has a molecular weight of 254.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-amino-4-pyridinyl)-5-fluoropiperidin-3-yl]carbamic acid is sourced from PubChem (CID 69043410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).