7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

C13H17FN2O — CID 82389200

IUPAC7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyHSJDIFAHDNUSDM-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.73
Rot. Bonds

About 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine

7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (PubChem CID 82389200) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.

Molecular Properties

Compound Name7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
PubChem CID82389200
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine
SMILESNC1CC2(CCNCC2)Oc2cc(F)ccc21
InChIInChI=1S/C13H17FN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2
InChIKeyHSJDIFAHDNUSDM-UHFFFAOYSA-N
XLogP1.73
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The IUPAC name of 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine (CID 82389200) is 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine.
What is the SMILES notation for 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The canonical SMILES for 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is NC1CC2(CCNCC2)Oc2cc(F)ccc21.
What is the InChIKey of 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
The InChIKey is HSJDIFAHDNUSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c14-9-1-2-10-11(15)8-13(17-12(10)7-9)3-5-16-6-4-13/h1-2,7,11,16H,3-6,8,15H2.
What are the key properties of 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine?
7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine has a molecular weight of 236.29 g/mol, XLogP of 1.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluorospiro[3,4-dihydrochromene-2,4'-piperidine]-4-amine is sourced from PubChem (CID 82389200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).