6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine

C15H20FN3 — CID 63291570

IUPAC6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC1CCCN(C)C1
InChIInChI=1S/C15H20FN3/c1-18-6-2-3-11(8-18)9-19-10-12-4-5-13(16)7-14(12)15(19)17/h4-5,7,11,17H,2-3,6,8-10H2,1H3/b17-15-
InChIKeyDZIRRPTXUPMGCV-ICFOKQHNSA-N
MW261.34 g/mol
LogP2.31
Rot. Bonds2

About 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine

6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine (PubChem CID 63291570) has the molecular formula C15H20FN3 and a molecular weight of 261.34 g/mol. Its IUPAC name is 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine.

Molecular Properties

Compound Name6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine
PubChem CID63291570
Molecular FormulaC15H20FN3
Molecular Weight261.34 g/mol
Exact Mass261.16
IUPAC Name6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine
SMILES[H]/N=C1/c2cc(F)ccc2CN1CC1CCCN(C)C1
InChIInChI=1S/C15H20FN3/c1-18-6-2-3-11(8-18)9-19-10-12-4-5-13(16)7-14(12)15(19)17/h4-5,7,11,17H,2-3,6,8-10H2,1H3/b17-15-
InChIKeyDZIRRPTXUPMGCV-ICFOKQHNSA-N
XLogP2.31
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.34
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyclopentylethyl)-6-fluoro-3H-isoindol-1-imine
CID 63536640
6-fluoro-2-(1-methylpiperidin-4-yl)-3H-isoindol-1-imine
CID 63291393
N-[2-(5-fluoro-3-imino-1H-isoindol-2-yl)ethyl]-N-methylcyclopropanamine
CID 63291269
2-butyl-6-fluoro-3H-isoindol-1-imine
CID 63291865
6-fluoro-2-(2,2,2-trifluoroethyl)-3H-isoindol-1-imine
CID 63291648
6-fluoro-2-[(1-methylpyrazol-4-yl)methyl]-3H-isoindol-1-imine
CID 63291266
2-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluoro-3H-isoindol-1-imine
CID 63291528
6-fluoro-2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3H-isoindol-1-imine
CID 55203061
N-[3-(5-fluoro-3-imino-1H-isoindol-2-yl)propyl]methanesulfonamide
CID 106337066
6-fluoro-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3H-isoindol-1-imine
CID 106033688
6-fluoro-2-[(4-propan-2-ylphenyl)methyl]-3H-isoindol-1-imine
CID 63536482
5-(5-fluoro-3-imino-1H-isoindol-2-yl)-1-methylpiperidin-2-one
CID 64655138

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine?
The IUPAC name of 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine (CID 63291570) is 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine.
What is the SMILES notation for 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine?
The canonical SMILES for 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine is [H]/N=C1/c2cc(F)ccc2CN1CC1CCCN(C)C1.
What is the InChIKey of 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine?
The InChIKey is DZIRRPTXUPMGCV-ICFOKQHNSA-N. The full InChI is InChI=1S/C15H20FN3/c1-18-6-2-3-11(8-18)9-19-10-12-4-5-13(16)7-14(12)15(19)17/h4-5,7,11,17H,2-3,6,8-10H2,1H3/b17-15-.
What are the key properties of 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine?
6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine has a molecular weight of 261.34 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[(1-methylpiperidin-3-yl)methyl]-3H-isoindol-1-imine is sourced from PubChem (CID 63291570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).