1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine

C20H24ClN3 — CID 164621388

IUPAC1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)C2
InChIInChI=1S/C20H24ClN3/c21-19-5-4-17-13-16(14-18(17)15-19)6-8-23-9-11-24(12-10-23)20-3-1-2-7-22-20/h1-5,7,15-16H,6,8-14H2
InChIKeyHVROSOVHMGPEMN-UHFFFAOYSA-N
MW341.89 g/mol
LogP3.66
Rot. Bonds4

About 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine

1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine (PubChem CID 164621388) has the molecular formula C20H24ClN3 and a molecular weight of 341.89 g/mol. Its IUPAC name is 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine.

Molecular Properties

Compound Name1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine
PubChem CID164621388
Molecular FormulaC20H24ClN3
Molecular Weight341.89 g/mol
Exact Mass341.17
IUPAC Name1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine
SMILESClc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)C2
InChIInChI=1S/C20H24ClN3/c21-19-5-4-17-13-16(14-18(17)15-19)6-8-23-9-11-24(12-10-23)20-3-1-2-7-22-20/h1-5,7,15-16H,6,8-14H2
InChIKeyHVROSOVHMGPEMN-UHFFFAOYSA-N
XLogP3.66
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.89
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The IUPAC name of 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine (CID 164621388) is 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine.
What is the SMILES notation for 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The canonical SMILES for 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine is Clc1ccc2c(c1)CC(CCN1CCN(c3ccccn3)CC1)C2.
What is the InChIKey of 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
The InChIKey is HVROSOVHMGPEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3/c21-19-5-4-17-13-16(14-18(17)15-19)6-8-23-9-11-24(12-10-23)20-3-1-2-7-22-20/h1-5,7,15-16H,6,8-14H2.
What are the key properties of 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine?
1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine has a molecular weight of 341.89 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-2,3-dihydro-1H-inden-2-yl)ethyl]-4-pyridin-2-ylpiperazine is sourced from PubChem (CID 164621388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).