(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol

C14H18FNO2 — CID 104951572

IUPAC(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
SMILESCN1CCCC2(C[C@@H](O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C14H18FNO2/c1-16-6-2-5-14(9-16)8-12(17)11-4-3-10(15)7-13(11)18-14/h3-4,7,12,17H,2,5-6,8-9H2,1H3/t12-,14?/m1/s1
InChIKeyBKRRGMFRMYBNIL-PUODRLBUSA-N
MW251.30 g/mol
LogP2.11
Rot. Bonds

About (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol

(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol (PubChem CID 104951572) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol.

Molecular Properties

Compound Name(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
PubChem CID104951572
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol
SMILESCN1CCCC2(C[C@@H](O)c3ccc(F)cc3O2)C1
InChIInChI=1S/C14H18FNO2/c1-16-6-2-5-14(9-16)8-12(17)11-4-3-10(15)7-13(11)18-14/h3-4,7,12,17H,2,5-6,8-9H2,1H3/t12-,14?/m1/s1
InChIKeyBKRRGMFRMYBNIL-PUODRLBUSA-N
XLogP2.11
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol?
The IUPAC name of (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol (CID 104951572) is (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol.
What is the SMILES notation for (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol?
The canonical SMILES for (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol is CN1CCCC2(C[C@@H](O)c3ccc(F)cc3O2)C1.
What is the InChIKey of (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol?
The InChIKey is BKRRGMFRMYBNIL-PUODRLBUSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-16-6-2-5-14(9-16)8-12(17)11-4-3-10(15)7-13(11)18-14/h3-4,7,12,17H,2,5-6,8-9H2,1H3/t12-,14?/m1/s1.
What are the key properties of (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol?
(4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol has a molecular weight of 251.30 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-1'-methylspiro[3,4-dihydrochromene-2,3'-piperidine]-4-ol is sourced from PubChem (CID 104951572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).