(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C15H23N3O — CID 9169269

IUPAC(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)[C@@H](N1CCN(C)CC1)CNC2
InChIInChI=1S/C15H23N3O/c1-17-5-7-18(8-6-17)15-11-16-10-12-3-4-13(19-2)9-14(12)15/h3-4,9,15-16H,5-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyBMIRFKSYJGFERU-HNNXBMFYSA-N
MW261.37 g/mol
LogP1.09
Rot. Bonds2

About (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169269) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169269
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc2c(c1)[C@@H](N1CCN(C)CC1)CNC2
InChIInChI=1S/C15H23N3O/c1-17-5-7-18(8-6-17)15-11-16-10-12-3-4-13(19-2)9-14(12)15/h3-4,9,15-16H,5-8,10-11H2,1-2H3/t15-/m0/s1
InChIKeyBMIRFKSYJGFERU-HNNXBMFYSA-N
XLogP1.09
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169422
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
(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
2-(6-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl)isoindole-1,3-dione;hydrochloride
CID 122444716
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
(4R)-6-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170420
4-(azetidin-1-ylmethyl)-6-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 105491599
1-[(5S)-9-fluoro-3-methoxy-5,6-dihydrobenzo[b][1]benzothiepin-5-yl]-4-methylpiperazine
CID 92763826
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
[1-(6-methoxy-2,3-dihydro-1H-inden-1-yl)-4-methylpiperazin-2-yl]methanamine
CID 80504502
10-methoxy-1,3,4,6,7,11b-hexahydrobenzo[a]quinolizin-2-one
CID 23333695

Frequently Asked Questions

What is the IUPAC name of (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9169269) is (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc2c(c1)[C@@H](N1CCN(C)CC1)CNC2.
What is the InChIKey of (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BMIRFKSYJGFERU-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-17-5-7-18(8-6-17)15-11-16-10-12-3-4-13(19-2)9-14(12)15/h3-4,9,15-16H,5-8,10-11H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 261.37 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).