6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine

C17H25FN2 — CID 58951095

IUPAC6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine
SMILESCN1CCC(C2(N)c3cc(F)ccc3CC2(C)C)CC1
InChIInChI=1S/C17H25FN2/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,19)13-6-8-20(3)9-7-13/h4-5,10,13H,6-9,11,19H2,1-3H3
InChIKeySRIBDSSBJBDKKM-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.90
Rot. Bonds1

About 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine

6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine (PubChem CID 58951095) has the molecular formula C17H25FN2 and a molecular weight of 276.40 g/mol. Its IUPAC name is 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine.

Molecular Properties

Compound Name6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine
PubChem CID58951095
Molecular FormulaC17H25FN2
Molecular Weight276.40 g/mol
Exact Mass276.20
IUPAC Name6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine
SMILESCN1CCC(C2(N)c3cc(F)ccc3CC2(C)C)CC1
InChIInChI=1S/C17H25FN2/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,19)13-6-8-20(3)9-7-13/h4-5,10,13H,6-9,11,19H2,1-3H3
InChIKeySRIBDSSBJBDKKM-UHFFFAOYSA-N
XLogP2.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine?
The IUPAC name of 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine (CID 58951095) is 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine.
What is the SMILES notation for 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine?
The canonical SMILES for 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine is CN1CCC(C2(N)c3cc(F)ccc3CC2(C)C)CC1.
What is the InChIKey of 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine?
The InChIKey is SRIBDSSBJBDKKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2/c1-16(2)11-12-4-5-14(18)10-15(12)17(16,19)13-6-8-20(3)9-7-13/h4-5,10,13H,6-9,11,19H2,1-3H3.
What are the key properties of 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine?
6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine has a molecular weight of 276.40 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,2-dimethyl-1-(1-methylpiperidin-4-yl)-3H-inden-1-amine is sourced from PubChem (CID 58951095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).