1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine

C20H23ClN2 — CID 15115476

IUPAC1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H23ClN2/c1-22-9-11-23(12-10-22)20-14-18(15-5-3-2-4-6-15)17-8-7-16(21)13-19(17)20/h2-8,13,18,20H,9-12,14H2,1H3
InChIKeyOUTQVQKOJHLKNN-UHFFFAOYSA-N
MW326.87 g/mol
LogP4.16
Rot. Bonds2

About 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine

1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine (PubChem CID 15115476) has the molecular formula C20H23ClN2 and a molecular weight of 326.87 g/mol. Its IUPAC name is 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine.

Molecular Properties

Compound Name1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine
PubChem CID15115476
Molecular FormulaC20H23ClN2
Molecular Weight326.87 g/mol
Exact Mass326.15
IUPAC Name1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine
SMILESCN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1
InChIInChI=1S/C20H23ClN2/c1-22-9-11-23(12-10-22)20-14-18(15-5-3-2-4-6-15)17-8-7-16(21)13-19(17)20/h2-8,13,18,20H,9-12,14H2,1H3
InChIKeyOUTQVQKOJHLKNN-UHFFFAOYSA-N
XLogP4.16
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.87
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine?
The IUPAC name of 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine (CID 15115476) is 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine.
What is the SMILES notation for 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine?
The canonical SMILES for 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine is CN1CCN(C2CC(c3ccccc3)c3ccc(Cl)cc32)CC1.
What is the InChIKey of 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine?
The InChIKey is OUTQVQKOJHLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2/c1-22-9-11-23(12-10-22)20-14-18(15-5-3-2-4-6-15)17-8-7-16(21)13-19(17)20/h2-8,13,18,20H,9-12,14H2,1H3.
What are the key properties of 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine?
1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine has a molecular weight of 326.87 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-phenyl-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazine is sourced from PubChem (CID 15115476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).