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

C20H24FN3 — CID 23504798

IUPAC3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)C(CN1CCN(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C20H24FN3/c21-17-4-7-19(8-5-17)24-11-9-23(10-12-24)14-16-2-1-15-3-6-18(22)13-20(15)16/h3-8,13,16H,1-2,9-12,14,22H2
InChIKeyRABKOSSSNKOOOK-UHFFFAOYSA-N
MW325.43 g/mol
LogP3.26
Rot. Bonds3

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

3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine (PubChem CID 23504798) has the molecular formula C20H24FN3 and a molecular weight of 325.43 g/mol. Its IUPAC name is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine.

Molecular Properties

Compound Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
PubChem CID23504798
Molecular FormulaC20H24FN3
Molecular Weight325.43 g/mol
Exact Mass325.20
IUPAC Name3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
SMILESNc1ccc2c(c1)C(CN1CCN(c3ccc(F)cc3)CC1)CC2
InChIInChI=1S/C20H24FN3/c21-17-4-7-19(8-5-17)24-11-9-23(10-12-24)14-16-2-1-15-3-6-18(22)13-20(15)16/h3-8,13,16H,1-2,9-12,14,22H2
InChIKeyRABKOSSSNKOOOK-UHFFFAOYSA-N
XLogP3.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504807
3-[[4-(3,4-dichlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 23504796
8-(azetidin-1-ylmethyl)-5,6,7,8-tetrahydronaphthalen-2-amine
CID 105470439
N-[3-[[4-(4-chlorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]acetamide
CID 23504826
3-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 28799981
3-fluoro-5-[4-(4-fluorophenyl)piperazin-1-yl]aniline
CID 60875546
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]cyclohexan-1-ol
CID 62610058
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
1-(3,4-dihydro-1H-isochromen-1-ylmethyl)-4-(4-fluorophenyl)piperazine;dihydrochloride
CID 23288788
4-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]oxolan-3-amine
CID 66236106
1-[3-[[4-(4-fluorophenyl)piperidin-1-yl]methyl]-2,3-dihydro-1H-inden-5-yl]-3-methylurea
CID 23504874
1-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperidin-4-ol
CID 28957837

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The IUPAC name of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine (CID 23504798) is 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine.
What is the SMILES notation for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The canonical SMILES for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine is Nc1ccc2c(c1)C(CN1CCN(c3ccc(F)cc3)CC1)CC2.
What is the InChIKey of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
The InChIKey is RABKOSSSNKOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3/c21-17-4-7-19(8-5-17)24-11-9-23(10-12-24)14-16-2-1-15-3-6-18(22)13-20(15)16/h3-8,13,16H,1-2,9-12,14,22H2.
What are the key properties of 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine?
3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine has a molecular weight of 325.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]-2,3-dihydro-1H-inden-5-amine is sourced from PubChem (CID 23504798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).