(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C17H27N3O — CID 9169422

IUPAC(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN([C@H]2CNCc3cc(OC)ccc32)CC1
InChIInChI=1S/C17H27N3O/c1-3-6-19-7-9-20(10-8-19)17-13-18-12-14-11-15(21-2)4-5-16(14)17/h4-5,11,17-18H,3,6-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyFINGXEPZMSWIED-KRWDZBQOSA-N
MW289.42 g/mol
LogP1.87
Rot. Bonds4

About (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9169422) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9169422
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCCCN1CCN([C@H]2CNCc3cc(OC)ccc32)CC1
InChIInChI=1S/C17H27N3O/c1-3-6-19-7-9-20(10-8-19)17-13-18-12-14-11-15(21-2)4-5-16(14)17/h4-5,11,17-18H,3,6-10,12-13H2,1-2H3/t17-/m0/s1
InChIKeyFINGXEPZMSWIED-KRWDZBQOSA-N
XLogP1.87
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4R)-7-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169681
(4S)-7-ethoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169669
(4R)-6-methoxy-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169269
(8R)-8-(4-propylpiperazin-1-yl)-5,6,7,8-tetrahydro-[1,3]dioxolo[4,5-g]isoquinoline
CID 9170092
(4S)-6,7,8-trimethoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9170028
(4S)-4-(4-ethylpiperazin-1-yl)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169752
(4R)-6-ethoxy-4-(4-ethylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 9169609
7-methoxy-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 161060246
(4R)-7-methyl-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9170495
7-methoxy-4-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline
CID 105477768
7-methoxy-4-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 82127533
(4S)-N,N-diethyl-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 9170274

Frequently Asked Questions

What is the IUPAC name of (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9169422) is (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CCCN1CCN([C@H]2CNCc3cc(OC)ccc32)CC1.
What is the InChIKey of (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is FINGXEPZMSWIED-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H27N3O/c1-3-6-19-7-9-20(10-8-19)17-13-18-12-14-11-15(21-2)4-5-16(14)17/h4-5,11,17-18H,3,6-10,12-13H2,1-2H3/t17-/m0/s1.
What are the key properties of (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 289.42 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-methoxy-4-(4-propylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9169422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).