1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine

C19H30N2 — CID 64930588

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc3c(c2)CCC3)C(C(C)C)CN1
InChIInChI=1S/C19H30N2/c1-4-6-17-13-21(19(12-20-17)14(2)3)18-10-9-15-7-5-8-16(15)11-18/h9-11,14,17,19-20H,4-8,12-13H2,1-3H3
InChIKeyZTHBPVNRKQXWJY-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.78
Rot. Bonds4

About 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine

1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine (PubChem CID 64930588) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
PubChem CID64930588
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine
SMILESCCCC1CN(c2ccc3c(c2)CCC3)C(C(C)C)CN1
InChIInChI=1S/C19H30N2/c1-4-6-17-13-21(19(12-20-17)14(2)3)18-10-9-15-7-5-8-16(15)11-18/h9-11,14,17,19-20H,4-8,12-13H2,1-3H3
InChIKeyZTHBPVNRKQXWJY-UHFFFAOYSA-N
XLogP3.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine (CID 64930588) is 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine is CCCC1CN(c2ccc3c(c2)CCC3)C(C(C)C)CN1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine?
The InChIKey is ZTHBPVNRKQXWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-4-6-17-13-21(19(12-20-17)14(2)3)18-10-9-15-7-5-8-16(15)11-18/h9-11,14,17,19-20H,4-8,12-13H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine?
1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine has a molecular weight of 286.46 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-2-propan-2-yl-5-propylpiperazine is sourced from PubChem (CID 64930588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).