[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid

C6H11FN2O2 — CID 67502493

IUPAC[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNCC[C@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyAJYVOJRSNUSBPH-RFZPGFLSSA-N
MW162.16 g/mol
LogP-0.05
Rot. Bonds1

About [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid

[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid (PubChem CID 67502493) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
PubChem CID67502493
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
SMILESO=C(O)N[C@@H]1CNCC[C@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-1-2-8-3-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5-/m1/s1
InChIKeyAJYVOJRSNUSBPH-RFZPGFLSSA-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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Related Compounds

Piperidin-4-yl-carbamic acid
CID 19787930
2-Ethylpiperazine-1-carboxylic acid
CID 22220032
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]carbamic acid
CID 18425492
4-Amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
2-(1-Fluorobutyl)piperazine-1-carboxylic acid
CID 66820647
tert-butyl-[(3S,4S)-4-fluoropiperidin-3-yl]carbamic acid
CID 67045320
Tert-butyl-(4-fluoropiperidin-3-yl)carbamic acid
CID 67045321
tert-butyl-[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
CID 67045322
[(3S,4S)-1-tert-butyl-4-fluoropiperidin-3-yl]carbamic acid
CID 67130221
[(3R,4R)-1-tert-butyl-4-fluoropiperidin-3-yl]carbamic acid
CID 67130245
[5-(Fluoromethyl)piperidin-3-yl]carbamic acid
CID 67130256
(4-Fluoropiperidin-3-yl)carbamic acid
CID 67347591

Frequently Asked Questions

What is the IUPAC name of [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid?
The IUPAC name of [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid (CID 67502493) is [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid.
What is the SMILES notation for [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid?
The canonical SMILES for [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid is O=C(O)N[C@@H]1CNCC[C@H]1F.
What is the InChIKey of [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid?
The InChIKey is AJYVOJRSNUSBPH-RFZPGFLSSA-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)/t4-,5-/m1/s1.
What are the key properties of [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid?
[(3R,4R)-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 [(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid is sourced from PubChem (CID 67502493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).