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'}

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

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Related Compounds

1-(3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933006
1-(4-fluoro-3-methoxyphenyl)-2-propan-2-yl-5-propylpiperazine
CID 114840951
1-(4-fluoro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64932857
1-(5-chloro-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64933308
1-(4-bromo-2-methylphenyl)-2-propan-2-yl-5-propylpiperazine
CID 64934509
1-(5-bromo-2-chlorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64939430
2-propan-2-yl-5-propyl-1-(2,3,5-trifluorophenyl)piperazine
CID 64940187
1-(2-bromo-4,6-difluorophenyl)-2-propan-2-yl-5-propylpiperazine
CID 64935312
5-ethyl-1-phenyl-2-propan-2-ylpiperazine
CID 64930277
1-(4-ethylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64930058
5-ethyl-1-(4-fluoro-3-methoxyphenyl)-2-propan-2-ylpiperazine
CID 114840927
1-(3-bromo-4-methylphenyl)-5-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 64940242

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).