5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

C16H25Cl2FN2 — CID 118742079

IUPAC5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCC(C)NC1CC2(CCNCC2)c2cc(F)ccc21.Cl.Cl
InChIInChI=1S/C16H23FN2.2ClH/c1-11(2)19-15-10-16(5-7-18-8-6-16)14-9-12(17)3-4-13(14)15;;/h3-4,9,11,15,18-19H,5-8,10H2,1-2H3;2*1H
InChIKeyACIJETCANALEOX-UHFFFAOYSA-N
MW335.29 g/mol
LogP3.73
Rot. Bonds2

About 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride

5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (PubChem CID 118742079) has the molecular formula C16H25Cl2FN2 and a molecular weight of 335.29 g/mol. Its IUPAC name is 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
PubChem CID118742079
Molecular FormulaC16H25Cl2FN2
Molecular Weight335.29 g/mol
Exact Mass334.14
IUPAC Name5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
SMILESCC(C)NC1CC2(CCNCC2)c2cc(F)ccc21.Cl.Cl
InChIInChI=1S/C16H23FN2.2ClH/c1-11(2)19-15-10-16(5-7-18-8-6-16)14-9-12(17)3-4-13(14)15;;/h3-4,9,11,15,18-19H,5-8,10H2,1-2H3;2*1H
InChIKeyACIJETCANALEOX-UHFFFAOYSA-N
XLogP3.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.29
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopropylmethyl)-5-fluorospiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 155857240
(1R)-6-methyl-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine
CID 97385313
CID 58295805
CID 58295805
N-cyclopentylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride
CID 118742131
1-ethoxy-5-methoxyspiro[1,2-dihydroindene-3,4'-piperidine]
CID 131660291
4-(5-fluoro-2-methylphenyl)azepan-4-ol
CID 103982874
4-(5-fluoro-2-propan-2-ylphenyl)piperidine
CID 84788145
5-fluoro-3,3-dimethylspiro[2-benzofuran-1,4'-piperidine]
CID 57459631
1-(7-fluorospiro[1,3-dihydroisoquinoline-4,4'-piperidine]-2-yl)ethanone;hydrochloride
CID 155832997
3-[(4-fluorophenyl)methyl]-2-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-1-one
CID 175662858
N-[(1S)-1'-(3,3-dimethylbutyl)-6-fluorospiro[2,3-dihydro-1H-naphthalene-4,4'-piperidine]-1-yl]propanamide
CID 24875818
6-fluorospiro[3H-indene-2,4'-piperidine]-1-one
CID 175058607

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The IUPAC name of 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride (CID 118742079) is 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride.
What is the SMILES notation for 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The canonical SMILES for 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is CC(C)NC1CC2(CCNCC2)c2cc(F)ccc21.Cl.Cl.
What is the InChIKey of 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
The InChIKey is ACIJETCANALEOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2.2ClH/c1-11(2)19-15-10-16(5-7-18-8-6-16)14-9-12(17)3-4-13(14)15;;/h3-4,9,11,15,18-19H,5-8,10H2,1-2H3;2*1H.
What are the key properties of 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride?
5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride has a molecular weight of 335.29 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-propan-2-ylspiro[1,2-dihydroindene-3,4'-piperidine]-1-amine;dihydrochloride is sourced from PubChem (CID 118742079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).