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

C19H21ClN2 — CID 2846557

IUPAC1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESClc1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1
InChIInChI=1S/C19H21ClN2/c20-17-6-3-7-18(14-17)21-8-10-22(11-9-21)19-12-15-4-1-2-5-16(15)13-19/h1-7,14,19H,8-13H2
InChIKeyXGFXKEDCIWKUGW-UHFFFAOYSA-N
MW312.84 g/mol
LogP3.63
Rot. Bonds2

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

1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine (PubChem CID 2846557) has the molecular formula C19H21ClN2 and a molecular weight of 312.84 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
PubChem CID2846557
Molecular FormulaC19H21ClN2
Molecular Weight312.84 g/mol
Exact Mass312.14
IUPAC Name1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine
SMILESClc1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1
InChIInChI=1S/C19H21ClN2/c20-17-6-3-7-18(14-17)21-8-10-22(11-9-21)19-12-15-4-1-2-5-16(15)13-19/h1-7,14,19H,8-13H2
InChIKeyXGFXKEDCIWKUGW-UHFFFAOYSA-N
XLogP3.63
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.84
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The IUPAC name of 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine (CID 2846557) is 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine.
What is the SMILES notation for 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The canonical SMILES for 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine is Clc1cccc(N2CCN(C3Cc4ccccc4C3)CC2)c1.
What is the InChIKey of 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
The InChIKey is XGFXKEDCIWKUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2/c20-17-6-3-7-18(14-17)21-8-10-22(11-9-21)19-12-15-4-1-2-5-16(15)13-19/h1-7,14,19H,8-13H2.
What are the key properties of 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine?
1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine has a molecular weight of 312.84 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-4-(2,3-dihydro-1H-inden-2-yl)piperazine is sourced from PubChem (CID 2846557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).