1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine

C22H28N2 — CID 10567738

IUPAC1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1(C)C
InChIInChI=1S/C22H28N2/c1-22(2)16-24(14-13-23(22)3)21-15-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21/h4-12,20-21H,13-16H2,1-3H3
InChIKeyUSXYBVUAZCVLAV-UHFFFAOYSA-N
MW320.48 g/mol
LogP4.29
Rot. Bonds2

About 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine

1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine (PubChem CID 10567738) has the molecular formula C22H28N2 and a molecular weight of 320.48 g/mol. Its IUPAC name is 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine.

Molecular Properties

Compound Name1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine
PubChem CID10567738
Molecular FormulaC22H28N2
Molecular Weight320.48 g/mol
Exact Mass320.23
IUPAC Name1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1(C)C
InChIInChI=1S/C22H28N2/c1-22(2)16-24(14-13-23(22)3)21-15-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21/h4-12,20-21H,13-16H2,1-3H3
InChIKeyUSXYBVUAZCVLAV-UHFFFAOYSA-N
XLogP4.29
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine?
The IUPAC name of 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine (CID 10567738) is 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine.
What is the SMILES notation for 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine?
The canonical SMILES for 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine is CN1CCN(C2CC(c3ccccc3)c3ccccc32)CC1(C)C.
What is the InChIKey of 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine?
The InChIKey is USXYBVUAZCVLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2/c1-22(2)16-24(14-13-23(22)3)21-15-20(17-9-5-4-6-10-17)18-11-7-8-12-19(18)21/h4-12,20-21H,13-16H2,1-3H3.
What are the key properties of 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine?
1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine has a molecular weight of 320.48 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-trimethyl-4-(3-phenyl-2,3-dihydro-1H-inden-1-yl)piperazine is sourced from PubChem (CID 10567738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).