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

C6H11FN2O2 — CID 175145817

IUPAC[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
SMILESNC(=O)O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9-2-1-5(4)11-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1
InChIKeyQNWQCCWSDJZMEK-CRCLSJGQSA-N
MW162.16 g/mol
LogP-0.22
Rot. Bonds1

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

[(3S,4R)-3-fluoropiperidin-4-yl] carbamate (PubChem CID 175145817) has the molecular formula C6H11FN2O2 and a molecular weight of 162.16 g/mol. Its IUPAC name is [(3S,4R)-3-fluoropiperidin-4-yl] carbamate.

Molecular Properties

Compound Name[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
PubChem CID175145817
Molecular FormulaC6H11FN2O2
Molecular Weight162.16 g/mol
Exact Mass162.08
IUPAC Name[(3S,4R)-3-fluoropiperidin-4-yl] carbamate
SMILESNC(=O)O[C@@H]1CCNC[C@@H]1F
InChIInChI=1S/C6H11FN2O2/c7-4-3-9-2-1-5(4)11-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1
InChIKeyQNWQCCWSDJZMEK-CRCLSJGQSA-N
XLogP-0.22
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-fluoropiperidin-4-yl) butanoate
CID 174445737
[(3R)-pyrrolidin-3-yl] carbamate;hydrochloride
CID 67938211
(3R)-3-fluoro-4-methoxypiperidine
CID 175540889
(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
CID 135395865
[(3S,4R)-3-fluoropiperidin-4-yl] 2-oxo-1H-pyridine-3-carboxylate
CID 177200376
6-chloro-3-[(3S,4S)-3-fluoropiperidin-4-yl]oxypyridazine-4-carboxamide
CID 118167833
[(3S,4S)-4-hydroxypyrrolidin-3-yl] carbamate
CID 89405614
[(3S,4R)-4-hydroxypyrrolidin-3-yl] carbamate
CID 175189590
methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
[(3S,4S)-3-acetyloxypiperidin-4-yl] acetate
CID 59640733
[(4S)-3-acetyloxypiperidin-4-yl] acetate
CID 66827277

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-fluoropiperidin-4-yl] carbamate?
The IUPAC name of [(3S,4R)-3-fluoropiperidin-4-yl] carbamate (CID 175145817) is [(3S,4R)-3-fluoropiperidin-4-yl] carbamate.
What is the SMILES notation for [(3S,4R)-3-fluoropiperidin-4-yl] carbamate?
The canonical SMILES for [(3S,4R)-3-fluoropiperidin-4-yl] carbamate is NC(=O)O[C@@H]1CCNC[C@@H]1F.
What is the InChIKey of [(3S,4R)-3-fluoropiperidin-4-yl] carbamate?
The InChIKey is QNWQCCWSDJZMEK-CRCLSJGQSA-N. The full InChI is InChI=1S/C6H11FN2O2/c7-4-3-9-2-1-5(4)11-6(8)10/h4-5,9H,1-3H2,(H2,8,10)/t4-,5+/m0/s1.
What are the key properties of [(3S,4R)-3-fluoropiperidin-4-yl] carbamate?
[(3S,4R)-3-fluoropiperidin-4-yl] carbamate has a molecular weight of 162.16 g/mol, XLogP of -0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-fluoropiperidin-4-yl] carbamate is sourced from PubChem (CID 175145817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).