N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

C16H23Cl2FN2 — CID 118742129

IUPACN-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NC1CC1
InChIInChI=1S/C16H21FN2.2ClH/c17-11-1-4-13-14(9-11)16(5-7-18-8-6-16)10-15(13)19-12-2-3-12;;/h1,4,9,12,15,18-19H,2-3,5-8,10H2;2*1H
InChIKeyXMMFFUHMGORTCX-UHFFFAOYSA-N
MW333.28 g/mol
LogP3.49
Rot. Bonds2

About N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (PubChem CID 118742129) has the molecular formula C16H23Cl2FN2 and a molecular weight of 333.28 g/mol. Its IUPAC name is N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.

Molecular Properties

Compound NameN-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
PubChem CID118742129
Molecular FormulaC16H23Cl2FN2
Molecular Weight333.28 g/mol
Exact Mass332.12
IUPAC NameN-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NC1CC1
InChIInChI=1S/C16H21FN2.2ClH/c17-11-1-4-13-14(9-11)16(5-7-18-8-6-16)10-15(13)19-12-2-3-12;;/h1,4,9,12,15,18-19H,2-3,5-8,10H2;2*1H
InChIKeyXMMFFUHMGORTCX-UHFFFAOYSA-N
XLogP3.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.28
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9H-Fluoren-9-yl)piperazine
CID 410205
1-[3-(4-Fluoro-phenyl)-indan-1-yl]-piperazine
CID 14208318
(4aS,5R,9bS)-5-phenyl-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
CID 44358388
N-methyl-3-phenyl-indan-1-amine;hydrochloride
CID 45260274
1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-phenyl-, (4a-alpha,5-beta,9b-alpha)-
CID 38055
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)-
CID 44358186
3-(3,4-difluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260251
3-(4-fluorophenyl)-N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 45260298
N-[(2-fluorophenyl)methyl]spiro[1,2-dihydroindene-3,2'-cyclopropane]-1'-amine
CID 164613508
US9670136, 20 N1-((trans)-2-phenylcyclopropyl)-2,3-dihydro-H-indene-1,3-diamine
CID 90395379
US10301253, Example 81
CID 122463436

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The IUPAC name of N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (CID 118742129) is N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.
What is the SMILES notation for N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The canonical SMILES for N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is Cl.Cl.Fc1ccc2c(c1)C1(CCNCC1)CC2NC1CC1.
What is the InChIKey of N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The InChIKey is XMMFFUHMGORTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2.2ClH/c17-11-1-4-13-14(9-11)16(5-7-18-8-6-16)10-15(13)19-12-2-3-12;;/h1,4,9,12,15,18-19H,2-3,5-8,10H2;2*1H.
What are the key properties of N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride has a molecular weight of 333.28 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is sourced from PubChem (CID 118742129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).