(3-fluoropiperidin-4-yl)carbamic acid

C6H11FN2O2 — CID 68560068

IUPAC(3-fluoropiperidin-4-yl)carbamic acid
SMILESO=C(O)NC1CCNCC1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-8-2-1-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)
InChIKeyDAZKDMILIZJCRV-UHFFFAOYSA-N
MW162.16 g/mol
LogP-0.05
Rot. Bonds1

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

(3-fluoropiperidin-4-yl)carbamic acid (PubChem CID 68560068) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3-fluoropiperidin-4-yl)carbamic acid.

Molecular Properties

Compound Name(3-fluoropiperidin-4-yl)carbamic acid
PubChem CID68560068
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name(3-fluoropiperidin-4-yl)carbamic acid
SMILESO=C(O)NC1CCNCC1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-8-2-1-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)
InChIKeyDAZKDMILIZJCRV-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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Related Compounds

4-Amino-1-piperidinecarboxylic acid
CID 445262
Methyl N-(piperidin-4-yl)carbamate
CID 15676960
Piperidin-4-yl-carbamic acid
CID 19787930
[1-(2,2,2-Trifluoroethyl)piperidin-4-yl]carbamic acid
CID 18425492
(4-Fluorocyclohexyl)carbamic acid
CID 22224995
N-piperidin-4-ylcarbamoyl fluoride
CID 60070763
4-Amino-3-fluoropiperidine-1-carboxylic acid
CID 66782220
(3R,4S)-4-(tert-butylamino)-3-fluoropiperidine-1-carboxylic acid
CID 67003509
[5-(Fluoromethyl)piperidin-3-yl]carbamic acid
CID 67130256
[1-(4,4-Difluorocyclohexyl)piperidin-4-yl]carbamic acid
CID 67193540
(4-Fluoropiperidin-3-yl)carbamic acid
CID 67347591
[(3R,4R)-4-fluoropiperidin-3-yl]carbamic acid
CID 67502493

Frequently Asked Questions

What is the IUPAC name of (3-fluoropiperidin-4-yl)carbamic acid?
The IUPAC name of (3-fluoropiperidin-4-yl)carbamic acid (CID 68560068) is (3-fluoropiperidin-4-yl)carbamic acid.
What is the SMILES notation for (3-fluoropiperidin-4-yl)carbamic acid?
The canonical SMILES for (3-fluoropiperidin-4-yl)carbamic acid is O=C(O)NC1CCNCC1F.
What is the InChIKey of (3-fluoropiperidin-4-yl)carbamic acid?
The InChIKey is DAZKDMILIZJCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-3-8-2-1-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11).
What are the key properties of (3-fluoropiperidin-4-yl)carbamic acid?
(3-fluoropiperidin-4-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 (3-fluoropiperidin-4-yl)carbamic acid is sourced from PubChem (CID 68560068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).