1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine

C19H31N3 — CID 82201862

IUPAC1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
SMILESCCN(CC)C(CN1CCNCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H31N3/c1-3-22(4-2)19(15-21-12-10-20-11-13-21)18-9-8-16-6-5-7-17(16)14-18/h8-9,14,19-20H,3-7,10-13,15H2,1-2H3
InChIKeyBEKOLIAZDAEJQH-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.46
Rot. Bonds6

About 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine

1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine (PubChem CID 82201862) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
PubChem CID82201862
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine
SMILESCCN(CC)C(CN1CCNCC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C19H31N3/c1-3-22(4-2)19(15-21-12-10-20-11-13-21)18-9-8-16-6-5-7-17(16)14-18/h8-9,14,19-20H,3-7,10-13,15H2,1-2H3
InChIKeyBEKOLIAZDAEJQH-UHFFFAOYSA-N
XLogP2.46
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(4-methylpiperidin-1-yl)ethyl]piperazine
CID 82201857
N,N-diethyl-2-piperazin-1-yl-1-pyridin-3-ylethanamine
CID 82201783
1-[2-(2,3-dihydro-1H-inden-5-yl)-2-(2-methylpiperidin-1-yl)ethyl]piperazine
CID 82201859
N-[1-(4-chlorophenyl)-2-piperazin-1-ylethyl]-N-ethylbutan-1-amine
CID 82201682
3-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)propan-1-ol
CID 82073590
2,3-dihydro-1H-inden-5-yl(piperazin-1-yl)methanamine
CID 116939742
1-[2-chloro-2-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-ethylpiperazine
CID 82215291
2-pyrrolidin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 82118360
N-methyl-1-piperazin-1-yl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)methanamine
CID 116954775
1-(2,3-dihydro-1H-inden-5-yloxy)-3-piperazin-1-ylpropan-2-ol
CID 65449645
3-[1-(2,3-dihydro-1H-inden-5-yl)propyl]pyrrolidine
CID 83911483
2-(2,3-dihydro-1H-inden-5-yl)-2-(dimethylamino)ethanol
CID 116857218

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine (CID 82201862) is 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine is CCN(CC)C(CN1CCNCC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine?
The InChIKey is BEKOLIAZDAEJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-3-22(4-2)19(15-21-12-10-20-11-13-21)18-9-8-16-6-5-7-17(16)14-18/h8-9,14,19-20H,3-7,10-13,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine?
1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine has a molecular weight of 301.48 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-5-yl)-N,N-diethyl-2-piperazin-1-ylethanamine is sourced from PubChem (CID 82201862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).