[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine

C15H22FN3 — CID 82545535

IUPAC[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN1CCC(N2Cc3ccc(F)cc3C2CN)CC1
InChIInChI=1S/C15H22FN3/c1-18-6-4-13(5-7-18)19-10-11-2-3-12(16)8-14(11)15(19)9-17/h2-3,8,13,15H,4-7,9-10,17H2,1H3
InChIKeyCMRSPRMINFVFTP-UHFFFAOYSA-N
MW263.36 g/mol
LogP1.74
Rot. Bonds2

About [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine

[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine (PubChem CID 82545535) has the molecular formula C15H22FN3 and a molecular weight of 263.36 g/mol. Its IUPAC name is [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine.

Molecular Properties

Compound Name[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
PubChem CID82545535
Molecular FormulaC15H22FN3
Molecular Weight263.36 g/mol
Exact Mass263.18
IUPAC Name[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
SMILESCN1CCC(N2Cc3ccc(F)cc3C2CN)CC1
InChIInChI=1S/C15H22FN3/c1-18-6-4-13(5-7-18)19-10-11-2-3-12(16)8-14(11)15(19)9-17/h2-3,8,13,15H,4-7,9-10,17H2,1H3
InChIKeyCMRSPRMINFVFTP-UHFFFAOYSA-N
XLogP1.74
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine with MolForge

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Related Compounds

(2-cyclopropyl-6-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545575
[5,7-difluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545103
(6-chloro-2-cycloheptyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545315
3-[1-(aminomethyl)-6-fluoro-1,3-dihydroisoindol-2-yl]-N,N-dimethylpropan-1-amine
CID 82545552
(2-cyclopropyl-4,6-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545082
(2-cyclopentyl-5,7-difluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545132
(2-cyclopropyl-4,5,6-trifluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82544719
(6-fluoro-2,3-dihydro-1H-inden-1-yl)methanamine
CID 82074741
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
[2-(1,1-dioxothiolan-3-yl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82545236
[(7S)-4-fluoro-7-bicyclo[4.2.0]octa-1(6),2,4-trienyl]methanamine
CID 98041428
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine
CID 58951095

Frequently Asked Questions

What is the IUPAC name of [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The IUPAC name of [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine (CID 82545535) is [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine.
What is the SMILES notation for [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The canonical SMILES for [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine is CN1CCC(N2Cc3ccc(F)cc3C2CN)CC1.
What is the InChIKey of [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
The InChIKey is CMRSPRMINFVFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3/c1-18-6-4-13(5-7-18)19-10-11-2-3-12(16)8-14(11)15(19)9-17/h2-3,8,13,15H,4-7,9-10,17H2,1H3.
What are the key properties of [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine?
[6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine has a molecular weight of 263.36 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-fluoro-2-(1-methylpiperidin-4-yl)-1,3-dihydroisoindol-1-yl]methanamine is sourced from PubChem (CID 82545535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).