1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile

C15H19N3 — CID 67456419

IUPAC1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCN1CCN(C2CCc3cc(C#N)ccc32)CC1
InChIInChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-13-10-12(11-16)2-4-14(13)15/h2,4,10,15H,3,5-9H2,1H3
InChIKeyLPGXJVCPQHCHFX-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.79
Rot. Bonds1

About 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile

1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile (PubChem CID 67456419) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
PubChem CID67456419
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile
SMILESCN1CCN(C2CCc3cc(C#N)ccc32)CC1
InChIInChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-13-10-12(11-16)2-4-14(13)15/h2,4,10,15H,3,5-9H2,1H3
InChIKeyLPGXJVCPQHCHFX-UHFFFAOYSA-N
XLogP1.79
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile (CID 67456419) is 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile is CN1CCN(C2CCc3cc(C#N)ccc32)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile?
The InChIKey is LPGXJVCPQHCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-17-6-8-18(9-7-17)15-5-3-13-10-12(11-16)2-4-14(13)15/h2,4,10,15H,3,5-9H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile?
1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile has a molecular weight of 241.34 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-indene-5-carbonitrile is sourced from PubChem (CID 67456419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).