2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline

C19H31N3 — CID 83956680

IUPAC2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCC1c2ccc(CN3CCNCC3)cc2CCN1CC
InChIInChI=1S/C19H31N3/c1-3-5-19-18-7-6-16(15-21-12-9-20-10-13-21)14-17(18)8-11-22(19)4-2/h6-7,14,19-20H,3-5,8-13,15H2,1-2H3
InChIKeyFNYWMBDRNUVXLX-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.81
Rot. Bonds5

About 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline

2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline (PubChem CID 83956680) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
PubChem CID83956680
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline
SMILESCCCC1c2ccc(CN3CCNCC3)cc2CCN1CC
InChIInChI=1S/C19H31N3/c1-3-5-19-18-7-6-16(15-21-12-9-20-10-13-21)14-17(18)8-11-22(19)4-2/h6-7,14,19-20H,3-5,8-13,15H2,1-2H3
InChIKeyFNYWMBDRNUVXLX-UHFFFAOYSA-N
XLogP2.81
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-ethyl-1-propyl-3,4-dihydro-1H-isoquinolin-6-yl)methyl]morpholine
CID 112721612
1,2-diethyl-6-[(4-methylpiperazin-1-yl)methyl]-3,4-dihydro-1H-isoquinoline
CID 112721608
1-(1,2-diethyl-3,4-dihydro-1H-isoquinolin-6-yl)-N,N-dimethylmethanamine
CID 112721605
1-[(4-methoxy-3-propoxyphenyl)methyl]piperazine
CID 39364163
1,2-dimethyl-5-(piperazin-1-ylmethyl)-2,3-dihydroindole
CID 117203229
7-(piperazin-1-ylmethyl)-1,2,3,4-tetrahydroquinoline
CID 82263603
1-[(3,4-dicyclopropyloxyphenyl)methyl]piperazine
CID 166799801
(2-ethyl-1-methyl-3,4-dihydro-1H-isoquinolin-6-yl)methanol
CID 83956657
1-[(3-methyl-2,3-dihydro-1-benzofuran-6-yl)methyl]piperazine
CID 117203737
[2-ethoxy-4-(piperazin-1-ylmethyl)phenyl]methanamine
CID 84754915
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-chloro-4-methylphenyl)methyl]piperazine
CID 63195406

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline (CID 83956680) is 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline is CCCC1c2ccc(CN3CCNCC3)cc2CCN1CC.
What is the InChIKey of 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline?
The InChIKey is FNYWMBDRNUVXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-3-5-19-18-7-6-16(15-21-12-9-20-10-13-21)14-17(18)8-11-22(19)4-2/h6-7,14,19-20H,3-5,8-13,15H2,1-2H3.
What are the key properties of 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline?
2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline has a molecular weight of 301.48 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(piperazin-1-ylmethyl)-1-propyl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 83956680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).