1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine

C20H24N2 — CID 3062498

IUPAC1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H24N2/c1-2-7-19(8-3-1)22-14-12-21(13-15-22)16-18-11-10-17-6-4-5-9-20(17)18/h1-9,18H,10-16H2
InChIKeyKSOUQNUDLOWLRP-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.54
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine

1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine (PubChem CID 3062498) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine
PubChem CID3062498
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine
SMILESc1ccc(N2CCN(CC3CCc4ccccc43)CC2)cc1
InChIInChI=1S/C20H24N2/c1-2-7-19(8-3-1)22-14-12-21(13-15-22)16-18-11-10-17-6-4-5-9-20(17)18/h1-9,18H,10-16H2
InChIKeyKSOUQNUDLOWLRP-UHFFFAOYSA-N
XLogP3.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine (CID 3062498) is 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine is c1ccc(N2CCN(CC3CCc4ccccc43)CC2)cc1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine?
The InChIKey is KSOUQNUDLOWLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2/c1-2-7-19(8-3-1)22-14-12-21(13-15-22)16-18-11-10-17-6-4-5-9-20(17)18/h1-9,18H,10-16H2.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine?
1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine has a molecular weight of 292.43 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-ylmethyl)-4-phenylpiperazine is sourced from PubChem (CID 3062498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).