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

C6H11FN2O2 — CID 68560075

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

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

[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid (PubChem CID 68560075) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
PubChem CID68560075
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name[(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid
SMILESO=C(O)N[C@H]1CCNC[C@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-8-2-1-5(4)9-6(10)11/h4-5,8-9H,1-3H2,(H,10,11)/t4-,5+/m1/s1
InChIKeyDAZKDMILIZJCRV-UHNVWZDZSA-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

methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391
[(3S,4S)-3-(hydroxymethyl)piperidin-4-yl]carbamic acid
CID 154997614
(3R)-3-fluoro-N-methylpiperidin-4-amine
CID 141385333
pyrrolidin-3-ylcarbamic acid;hydrochloride
CID 141142005
oxalic acid;pyrrolidin-3-ylcarbamic acid
CID 66616538
3-fluoro-N-propan-2-ylpiperidin-4-amine
CID 59304222
[(3S,4R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-4-yl]carbamic acid
CID 69017541
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride
CID 84720949
2-(2-cyclopropylphenoxy)-N-[(3S,4S)-3-fluoropiperidin-4-yl]propanamide
CID 169209387
tert-butyl N-(5-fluoroazepan-4-yl)carbamate
CID 86680071

Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid?
The IUPAC name of [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid (CID 68560075) is [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid.
What is the SMILES notation for [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid?
The canonical SMILES for [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid is O=C(O)N[C@H]1CCNC[C@H]1F.
What is the InChIKey of [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid?
The InChIKey is DAZKDMILIZJCRV-UHNVWZDZSA-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)/t4-,5+/m1/s1.
What are the key properties of [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid?
[(3R,4S)-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 [(3R,4S)-3-fluoropiperidin-4-yl]carbamic acid is sourced from PubChem (CID 68560075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).