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

C12H17FN4O2 — CID 67345706

IUPAC[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1CC(CF)CC(NC(=O)O)C1
InChIInChI=1S/C12H17FN4O2/c13-4-8-3-9(16-12(18)19)7-17(6-8)11-1-2-15-5-10(11)14/h1-2,5,8-9,16H,3-4,6-7,14H2,(H,18,19)
InChIKeyTZMNNZDHLDMUQP-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.10
Rot. Bonds3

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

[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid (PubChem CID 67345706) has the molecular formula C12H17FN4O2 and a molecular weight of 268.29 g/mol. Its IUPAC name is [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
PubChem CID67345706
Molecular FormulaC12H17FN4O2
Molecular Weight268.29 g/mol
Exact Mass268.13
IUPAC Name[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid
SMILESNc1cnccc1N1CC(CF)CC(NC(=O)O)C1
InChIInChI=1S/C12H17FN4O2/c13-4-8-3-9(16-12(18)19)7-17(6-8)11-1-2-15-5-10(11)14/h1-2,5,8-9,16H,3-4,6-7,14H2,(H,18,19)
InChIKeyTZMNNZDHLDMUQP-UHFFFAOYSA-N
XLogP1.10
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The IUPAC name of [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid (CID 67345706) is [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid.
What is the SMILES notation for [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The canonical SMILES for [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid is Nc1cnccc1N1CC(CF)CC(NC(=O)O)C1.
What is the InChIKey of [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid?
The InChIKey is TZMNNZDHLDMUQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN4O2/c13-4-8-3-9(16-12(18)19)7-17(6-8)11-1-2-15-5-10(11)14/h1-2,5,8-9,16H,3-4,6-7,14H2,(H,18,19).
What are the key properties of [1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid?
[1-(3-amino-4-pyridinyl)-5-(fluoromethyl)piperidin-3-yl]carbamic acid has a molecular weight of 268.29 g/mol, XLogP of 1.10, 3 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-(fluoromethyl)piperidin-3-yl]carbamic acid is sourced from PubChem (CID 67345706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).