[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

C14H17FN2O2 — CID 139512164

IUPAC[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESO=C(O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2
InChIInChI=1S/C14H17FN2O2/c15-10-2-1-9-8-14(3-5-16-6-4-14)12(11(9)7-10)17-13(18)19/h1-2,7,12,16-17H,3-6,8H2,(H,18,19)/t12-/m1/s1
InChIKeyNJGDIRUTJVHLOO-GFCCVEGCSA-N
MW264.30 g/mol
LogP2.06
Rot. Bonds1

About [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid

[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (PubChem CID 139512164) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.

Molecular Properties

Compound Name[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
PubChem CID139512164
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid
SMILESO=C(O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2
InChIInChI=1S/C14H17FN2O2/c15-10-2-1-9-8-14(3-5-16-6-4-14)12(11(9)7-10)17-13(18)19/h1-2,7,12,16-17H,3-6,8H2,(H,18,19)/t12-/m1/s1
InChIKeyNJGDIRUTJVHLOO-GFCCVEGCSA-N
XLogP2.06
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The IUPAC name of [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid (CID 139512164) is [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid.
What is the SMILES notation for [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The canonical SMILES for [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is O=C(O)N[C@@H]1c2cc(F)ccc2CC12CCNCC2.
What is the InChIKey of [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
The InChIKey is NJGDIRUTJVHLOO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-2-1-9-8-14(3-5-16-6-4-14)12(11(9)7-10)17-13(18)19/h1-2,7,12,16-17H,3-6,8H2,(H,18,19)/t12-/m1/s1.
What are the key properties of [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid?
[(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid has a molecular weight of 264.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-fluorospiro[1,3-dihydroindene-2,4'-piperidine]-1-yl]carbamic acid is sourced from PubChem (CID 139512164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).