1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine

C15H22N2O — CID 117368763

IUPAC1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
SMILESc1cc2c(cc1CCN1CCNCC1)CCOC2
InChIInChI=1S/C15H22N2O/c1-2-15-12-18-10-4-14(15)11-13(1)3-7-17-8-5-16-6-9-17/h1-2,11,16H,3-10,12H2
InChIKeyNLWGHMJQUDFXHD-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.21
Rot. Bonds3

About 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine

1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine (PubChem CID 117368763) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
PubChem CID117368763
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine
SMILESc1cc2c(cc1CCN1CCNCC1)CCOC2
InChIInChI=1S/C15H22N2O/c1-2-15-12-18-10-4-14(15)11-13(1)3-7-17-8-5-16-6-9-17/h1-2,11,16H,3-10,12H2
InChIKeyNLWGHMJQUDFXHD-UHFFFAOYSA-N
XLogP1.21
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(3,4-dihydro-1H-isochromen-7-yl)ethyl]piperazine
CID 117368764
1-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]piperazine
CID 82130408
7-(2-piperazin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline
CID 115104784
1-[2-(2,2-dimethyl-3H-1-benzofuran-6-yl)ethyl]piperazine
CID 117405680
6-[2-(4-methylpiperazin-1-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline
CID 115104815
3-(3,4-dihydro-1H-isochromen-6-ylmethyl)pyrrolidine
CID 84785512
1-[2-(2-methyl-3,4-dihydro-2H-chromen-7-yl)ethyl]piperazine
CID 117405682
7-(2-piperazin-1-ylethyl)-1-propyl-3,4-dihydro-2H-quinoline
CID 82263573
1-methyl-5-(3-piperazin-1-ylpropyl)-2,3-dihydroindole
CID 116997078
3,4-dihydro-1H-isochromen-6-ylmethanesulfonamide
CID 165470533
2-[4-(2-piperazin-1-ylethyl)phenyl]ethanol
CID 84797085
1-[2-(4-bromo-3-methylphenyl)ethyl]piperazine
CID 82264462

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine (CID 117368763) is 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine is c1cc2c(cc1CCN1CCNCC1)CCOC2.
What is the InChIKey of 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine?
The InChIKey is NLWGHMJQUDFXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-2-15-12-18-10-4-14(15)11-13(1)3-7-17-8-5-16-6-9-17/h1-2,11,16H,3-10,12H2.
What are the key properties of 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine?
1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine has a molecular weight of 246.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,4-dihydro-1H-isochromen-6-yl)ethyl]piperazine is sourced from PubChem (CID 117368763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).