1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine

C25H33FN4 — CID 74583705

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(CC1CNNC1c1cccc(F)c1)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H33FN4/c1-29(16-21-15-27-28-25(21)20-8-4-9-22(26)12-20)23-10-5-11-30(17-23)24-13-18-6-2-3-7-19(18)14-24/h2-4,6-9,12,21,23-25,27-28H,5,10-11,13-17H2,1H3
InChIKeyRIRNWIMYWXAPQK-UHFFFAOYSA-N
MW408.57 g/mol
LogP3.15
Rot. Bonds5

About 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine

1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine (PubChem CID 74583705) has the molecular formula C25H33FN4 and a molecular weight of 408.57 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine
PubChem CID74583705
Molecular FormulaC25H33FN4
Molecular Weight408.57 g/mol
Exact Mass408.27
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine
SMILESCN(CC1CNNC1c1cccc(F)c1)C1CCCN(C2Cc3ccccc3C2)C1
InChIInChI=1S/C25H33FN4/c1-29(16-21-15-27-28-25(21)20-8-4-9-22(26)12-20)23-10-5-11-30(17-23)24-13-18-6-2-3-7-19(18)14-24/h2-4,6-9,12,21,23-25,27-28H,5,10-11,13-17H2,1H3
InChIKeyRIRNWIMYWXAPQK-UHFFFAOYSA-N
XLogP3.15
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.57
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine (CID 74583705) is 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine is CN(CC1CNNC1c1cccc(F)c1)C1CCCN(C2Cc3ccccc3C2)C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine?
The InChIKey is RIRNWIMYWXAPQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33FN4/c1-29(16-21-15-27-28-25(21)20-8-4-9-22(26)12-20)23-10-5-11-30(17-23)24-13-18-6-2-3-7-19(18)14-24/h2-4,6-9,12,21,23-25,27-28H,5,10-11,13-17H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine?
1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine has a molecular weight of 408.57 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-N-[[3-(3-fluorophenyl)pyrazolidin-4-yl]methyl]-N-methylpiperidin-3-amine is sourced from PubChem (CID 74583705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).