5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

C17H23FN2 — CID 122463436

IUPAC5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESFc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1
InChIInChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyUILLHFKKAZKGMD-UHFFFAOYSA-N
MW274.38 g/mol
LogP2.37
Rot. Bonds3

About 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine

5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (PubChem CID 122463436) has the molecular formula C17H23FN2 and a molecular weight of 274.38 g/mol. Its IUPAC name is 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.

Molecular Properties

Compound Name5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
PubChem CID122463436
Molecular FormulaC17H23FN2
Molecular Weight274.38 g/mol
Exact Mass274.18
IUPAC Name5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
SMILESFc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1
InChIInChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2
InChIKeyUILLHFKKAZKGMD-UHFFFAOYSA-N
XLogP2.37
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.38
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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trans-(1S,2R)-2-phenyl-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
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[trans-2-Phenylcyclopropyl](4-piperidinylmethyl)amine
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1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
CID 44358171
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(4-fluorophenyl)-, (4a-alpha,5-beta,9b-alpha)-
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(1S,5R)-1-(2,3-dihydro-1H-inden-5-yl)-3-aza-bicyclo[3.1.0]hexane
CID 44561255
(1S,1aS,6aS)-N-(piperidin-4-ylmethyl)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-amine;hydrochloride
CID 145950671
4-N-[(1R,1aS,6aS)-1,1a,6,6a-tetrahydrocyclopropa[a]inden-1-yl]cyclohexane-1,4-diamine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The IUPAC name of 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine (CID 122463436) is 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine.
What is the SMILES notation for 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The canonical SMILES for 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is Fc1ccc2c(c1)C1(CC2)CC1NCC1CCNCC1.
What is the InChIKey of 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
The InChIKey is UILLHFKKAZKGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2/c18-14-2-1-13-3-6-17(15(13)9-14)10-16(17)20-11-12-4-7-19-8-5-12/h1-2,9,12,16,19-20H,3-8,10-11H2.
What are the key properties of 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine?
5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine has a molecular weight of 274.38 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(piperidin-4-ylmethyl)spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine is sourced from PubChem (CID 122463436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).