(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C19H31N3O3 — CID 9170028

IUPAC(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN([C@@H]2CNCc3c2cc(OC)c(OC)c3OC)CC1
InChIInChI=1S/C19H31N3O3/c1-5-6-21-7-9-22(10-8-21)16-13-20-12-15-14(16)11-17(23-2)19(25-4)18(15)24-3/h11,16,20H,5-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyLJBNQSGAXZBZSI-MRXNPFEDSA-N
MW349.48 g/mol
LogP1.88
Rot. Bonds6

About (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9170028) has the molecular formula C19H31N3O3 and a molecular weight of 349.48 g/mol. Its IUPAC name is (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9170028
Molecular FormulaC19H31N3O3
Molecular Weight349.48 g/mol
Exact Mass349.24
IUPAC Name(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN([C@@H]2CNCc3c2cc(OC)c(OC)c3OC)CC1
InChIInChI=1S/C19H31N3O3/c1-5-6-21-7-9-22(10-8-21)16-13-20-12-15-14(16)11-17(23-2)19(25-4)18(15)24-3/h11,16,20H,5-10,12-13H2,1-4H3/t16-/m1/s1
InChIKeyLJBNQSGAXZBZSI-MRXNPFEDSA-N
XLogP1.88
TPSA46.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4R)-6,7,8-trimethoxy-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170039
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170092
1-propyl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 51073742
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
4-[(4S)-5,8-dimethoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169870
(2R)-1-methyl-2-[(4,5,6-trimethoxy-2,3-dihydro-1H-inden-1-yl)methyl]pyrrolidine
CID 178102701
(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
1-[2-(3-fluoro-4,5-dimethoxyphenyl)ethyl]piperazine
CID 117424695

Frequently Asked Questions

What is the IUPAC name of (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9170028) is (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCCN1CCN([C@@H]2CNCc3c2cc(OC)c(OC)c3OC)CC1.
What is the InChIKey of (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LJBNQSGAXZBZSI-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H31N3O3/c1-5-6-21-7-9-22(10-8-21)16-13-20-12-15-14(16)11-17(23-2)19(25-4)18(15)24-3/h11,16,20H,5-10,12-13H2,1-4H3/t16-/m1/s1.
What are the key properties of (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 349.48 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9170028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).