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

C22H27FN2 — CID 10617001

IUPAC1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCc1ccc2c(c1)C(N1CCNC(C)(C)C1)CC2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2/c1-15-4-9-18-19(16-5-7-17(23)8-6-16)13-21(20(18)12-15)25-11-10-24-22(2,3)14-25/h4-9,12,19,21,24H,10-11,13-14H2,1-3H3
InChIKeyYGBDHZJMOPGGDK-UHFFFAOYSA-N
MW338.47 g/mol
LogP4.39
Rot. Bonds2

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

1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (PubChem CID 10617001) has the molecular formula C22H27FN2 and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
PubChem CID10617001
Molecular FormulaC22H27FN2
Molecular Weight338.47 g/mol
Exact Mass338.22
IUPAC Name1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine
SMILESCc1ccc2c(c1)C(N1CCNC(C)(C)C1)CC2c1ccc(F)cc1
InChIInChI=1S/C22H27FN2/c1-15-4-9-18-19(16-5-7-17(23)8-6-16)13-21(20(18)12-15)25-11-10-24-22(2,3)14-25/h4-9,12,19,21,24H,10-11,13-14H2,1-3H3
InChIKeyYGBDHZJMOPGGDK-UHFFFAOYSA-N
XLogP4.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The IUPAC name of 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine (CID 10617001) is 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The canonical SMILES for 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is Cc1ccc2c(c1)C(N1CCNC(C)(C)C1)CC2c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
The InChIKey is YGBDHZJMOPGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27FN2/c1-15-4-9-18-19(16-5-7-17(23)8-6-16)13-21(20(18)12-15)25-11-10-24-22(2,3)14-25/h4-9,12,19,21,24H,10-11,13-14H2,1-3H3.
What are the key properties of 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine?
1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine has a molecular weight of 338.47 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-inden-1-yl]-3,3-dimethylpiperazine is sourced from PubChem (CID 10617001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).