2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

C22H27FN2O — CID 13154795

IUPAC2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-16-2-7-19-20(17-3-5-18(23)6-4-17)15-22(21(19)14-16)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3
InChIKeyPIFJXKYJXNZXRB-UHFFFAOYSA-N
MW354.47 g/mol
LogP3.32
Rot. Bonds4

About 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol

2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (PubChem CID 13154795) has the molecular formula C22H27FN2O and a molecular weight of 354.47 g/mol. Its IUPAC name is 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
PubChem CID13154795
Molecular FormulaC22H27FN2O
Molecular Weight354.47 g/mol
Exact Mass354.21
IUPAC Name2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol
SMILESCc1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2O/c1-16-2-7-19-20(17-3-5-18(23)6-4-17)15-22(21(19)14-16)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3
InChIKeyPIFJXKYJXNZXRB-UHFFFAOYSA-N
XLogP3.32
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol (CID 13154795) is 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is Cc1ccc2c(c1)C(N1CCN(CCO)CC1)CC2c1ccc(F)cc1.
What is the InChIKey of 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
The InChIKey is PIFJXKYJXNZXRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2O/c1-16-2-7-19-20(17-3-5-18(23)6-4-17)15-22(21(19)14-16)25-10-8-24(9-11-25)12-13-26/h2-7,14,20,22,26H,8-13,15H2,1H3.
What are the key properties of 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol?
2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol has a molecular weight of 354.47 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]piperazin-1-yl]ethanol is sourced from PubChem (CID 13154795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).