3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine

C21H25FN2 — CID 23504807

IUPAC3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C21H25FN2/c22-19-6-3-15(4-7-19)16-9-11-24(12-10-16)14-18-2-1-17-5-8-20(23)13-21(17)18/h3-8,13,16,18H,1-2,9-12,14,23H2
InChIKeyKLCPOUWNBFMMOA-UHFFFAOYSA-N
MW324.44 g/mol
LogP4.32
Rot. Bonds3

About 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine

3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 23504807) has the molecular formula C21H25FN2 and a molecular weight of 324.44 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID23504807
Molecular FormulaC21H25FN2
Molecular Weight324.44 g/mol
Exact Mass324.20
IUPAC Name3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C21H25FN2/c22-19-6-3-15(4-7-19)16-9-11-24(12-10-16)14-18-2-1-17-5-8-20(23)13-21(17)18/h3-8,13,16,18H,1-2,9-12,14,23H2
InChIKeyKLCPOUWNBFMMOA-UHFFFAOYSA-N
XLogP4.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.44
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine (CID 23504807) is 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)C(CN1CCC(c3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is KLCPOUWNBFMMOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2/c22-19-6-3-15(4-7-19)16-9-11-24(12-10-16)14-18-2-1-17-5-8-20(23)13-21(17)18/h3-8,13,16,18H,1-2,9-12,14,23H2.
What are the key properties of 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 324.44 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 23504807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).