(4-fluoropiperidin-3-yl)carbamic acid

C6H11FN2O2 — CID 67347591

IUPAC(4-fluoropiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CNCCC1F
InChIInChI=1S/C6H11FN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)
InChIKeyAJYVOJRSNUSBPH-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.05
Rot. Bonds1

About (4-fluoropiperidin-3-yl)carbamic acid

(4-fluoropiperidin-3-yl)carbamic acid (PubChem CID 67347591) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is (4-fluoropiperidin-3-yl)carbamic acid.

Molecular Properties

Compound Name(4-fluoropiperidin-3-yl)carbamic acid
PubChem CID67347591
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name(4-fluoropiperidin-3-yl)carbamic acid
SMILESO=C(O)NC1CNCCC1F
InChIInChI=1S/C6H11FN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)
InChIKeyAJYVOJRSNUSBPH-UHFFFAOYSA-N
XLogP-0.05
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluoropiperidin-3-yl)carbamic acid?
The IUPAC name of (4-fluoropiperidin-3-yl)carbamic acid (CID 67347591) is (4-fluoropiperidin-3-yl)carbamic acid.
What is the SMILES notation for (4-fluoropiperidin-3-yl)carbamic acid?
The canonical SMILES for (4-fluoropiperidin-3-yl)carbamic acid is O=C(O)NC1CNCCC1F.
What is the InChIKey of (4-fluoropiperidin-3-yl)carbamic acid?
The InChIKey is AJYVOJRSNUSBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11).
What are the key properties of (4-fluoropiperidin-3-yl)carbamic acid?
(4-fluoropiperidin-3-yl)carbamic acid has a molecular weight of 162.16 g/mol, XLogP of -0.05, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoropiperidin-3-yl)carbamic acid is sourced from PubChem (CID 67347591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).