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

C17H25FN2 — CID 81345188

IUPACN-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN1CCC(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C17H25FN2/c1-2-20-10-8-13(9-11-20)12-19-17-7-6-14-15(17)4-3-5-16(14)18/h3-5,13,17,19H,2,6-12H2,1H3
InChIKeyWTNGBVUKIASHPM-UHFFFAOYSA-N
MW276.40 g/mol
LogP3.13
Rot. Bonds4

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

N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (PubChem CID 81345188) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

Compound NameN-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
PubChem CID81345188
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC NameN-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine
SMILESCCN1CCC(CNC2CCc3c(F)cccc32)CC1
InChIInChI=1S/C17H25FN2/c1-2-20-10-8-13(9-11-20)12-19-17-7-6-14-15(17)4-3-5-16(14)18/h3-5,13,17,19H,2,6-12H2,1H3
InChIKeyWTNGBVUKIASHPM-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The IUPAC name of N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine (CID 81345188) is N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine.
What is the SMILES notation for N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The canonical SMILES for N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is CCN1CCC(CNC2CCc3c(F)cccc32)CC1.
What is the InChIKey of N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
The InChIKey is WTNGBVUKIASHPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-2-20-10-8-13(9-11-20)12-19-17-7-6-14-15(17)4-3-5-16(14)18/h3-5,13,17,19H,2,6-12H2,1H3.
What are the key properties of N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine?
N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine has a molecular weight of 276.40 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpiperidin-4-yl)methyl]-4-fluoro-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 81345188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).