(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C14H20FN3 — CID 9168791

IUPAC(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN([C@H]2CNCc3cccc(F)c32)CC1
InChIInChI=1S/C14H20FN3/c1-17-5-7-18(8-6-17)13-10-16-9-11-3-2-4-12(15)14(11)13/h2-4,13,16H,5-10H2,1H3/t13-/m0/s1
InChIKeyBAQSPECNNKCSEW-ZDUSSCGKSA-N
MW249.33 g/mol
LogP1.22
Rot. Bonds1

About (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 9168791) has the molecular formula C14H20FN3 and a molecular weight of 249.33 g/mol. Its IUPAC name is (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID9168791
Molecular FormulaC14H20FN3
Molecular Weight249.33 g/mol
Exact Mass249.16
IUPAC Name(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCN1CCN([C@H]2CNCc3cccc(F)c32)CC1
InChIInChI=1S/C14H20FN3/c1-17-5-7-18(8-6-17)13-10-16-9-11-3-2-4-12(15)14(11)13/h2-4,13,16H,5-10H2,1H3/t13-/m0/s1
InChIKeyBAQSPECNNKCSEW-ZDUSSCGKSA-N
XLogP1.22
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline with MolForge

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Related Compounds

(4R)-5-fluoro-4-piperidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9168839
11-fluoro-2-methyl-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline;hydrochloride
CID 133054473
4-(4-methyl-1,4-diazepan-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63938382
(4S)-5-methoxy-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169184
(4S)-5-fluoro-N,N-dimethyl-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168734
4-[(4R)-5-methoxy-1,2,3,4-tetrahydroisoquinolin-4-yl]morpholine
CID 9169145
(4R)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168755
(4S)-N,N-diethyl-5-fluoro-1,2,3,4-tetrahydroisoquinolin-4-amine
CID 9168750
(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
4-(4-propan-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 63940134
(4S)-7-fluoro-4-pyrrolidin-1-yl-1,2,3,4-tetrahydroisoquinoline
CID 9169066

Frequently Asked Questions

What is the IUPAC name of (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 9168791) is (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CN1CCN([C@H]2CNCc3cccc(F)c32)CC1.
What is the InChIKey of (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is BAQSPECNNKCSEW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20FN3/c1-17-5-7-18(8-6-17)13-10-16-9-11-3-2-4-12(15)14(11)13/h2-4,13,16H,5-10H2,1H3/t13-/m0/s1.
What are the key properties of (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
(4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 249.33 g/mol, XLogP of 1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-5-fluoro-4-(4-methylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 9168791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).