N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

C16H24FN3 — CID 115718703

IUPACN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCN1CCN(C)C(CNC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C16H24FN3/c1-19-7-8-20(2)14(11-19)10-18-16-6-3-12-9-13(17)4-5-15(12)16/h4-5,9,14,16,18H,3,6-8,10-11H2,1-2H3
InChIKeyXQHMADBFGSXBGQ-UHFFFAOYSA-N
MW277.39 g/mol
LogP1.65
Rot. Bonds3

About N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine

N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 115718703) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID115718703
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCN1CCN(C)C(CNC2CCc3cc(F)ccc32)C1
InChIInChI=1S/C16H24FN3/c1-19-7-8-20(2)14(11-19)10-18-16-6-3-12-9-13(17)4-5-15(12)16/h4-5,9,14,16,18H,3,6-8,10-11H2,1-2H3
InChIKeyXQHMADBFGSXBGQ-UHFFFAOYSA-N
XLogP1.65
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,4-dimethylpiperazin-2-yl)methyl]-6-methoxy-2,3-dihydro-1H-inden-1-amine
CID 79370220
N-(cyclohexylmethyl)-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 116530842
N-[(1,1-dioxothiolan-3-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 115708242
N-[(1,4-dimethylpiperazin-2-yl)methyl]-3,4-dihydro-1H-isochromen-4-amine
CID 107149381
5-fluoro-N-(2-methylsulfanylethyl)-2,3-dihydro-1H-inden-1-amine
CID 115706133
5-fluoro-N-(thiolan-2-ylmethyl)-2,3-dihydro-1H-inden-1-amine
CID 115727687
1-(1,4-dimethylpiperazin-2-yl)-N-[(3-fluorophenyl)methyl]methanamine
CID 63898562
5-fluoro-N-octyl-2,3-dihydro-1H-inden-1-amine
CID 116531093
methyl 3-[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]propanoate
CID 116530837
5-fluoro-N-(4-methoxy-2,2-dimethylbutyl)-2,3-dihydro-1H-inden-1-amine
CID 104628801
2-ethyl-2-[[(5-fluoro-2,3-dihydro-1H-inden-1-yl)amino]methyl]butan-1-ol
CID 103904666
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 107386305

Frequently Asked Questions

What is the IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine (CID 115718703) is N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is CN1CCN(C)C(CNC2CCc3cc(F)ccc32)C1.
What is the InChIKey of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is XQHMADBFGSXBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-19-7-8-20(2)14(11-19)10-18-16-6-3-12-9-13(17)4-5-15(12)16/h4-5,9,14,16,18H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 277.39 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 115718703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).