6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline

C14H19N3O — CID 143096897

IUPAC6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C=CNC2N1CCNCC1
InChIInChI=1S/C14H19N3O/c1-18-12-2-3-13-11(10-12)4-5-16-14(13)17-8-6-15-7-9-17/h2-5,10,14-16H,6-9H2,1H3
InChIKeyMAWHAFTUCKRNAP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.17
Rot. Bonds2

About 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline

6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline (PubChem CID 143096897) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline.

Molecular Properties

Compound Name6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline
PubChem CID143096897
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline
SMILESCOc1ccc2c(c1)C=CNC2N1CCNCC1
InChIInChI=1S/C14H19N3O/c1-18-12-2-3-13-11(10-12)4-5-16-14(13)17-8-6-15-7-9-17/h2-5,10,14-16H,6-9H2,1H3
InChIKeyMAWHAFTUCKRNAP-UHFFFAOYSA-N
XLogP1.17
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 82023787
bis(1-(3-methoxyphenyl)piperazine);dihydrochloride
CID 70182951
9-methoxy-1,2,3,4,6,10b-hexahydropyrazino[2,1-a]isoindole
CID 23456506
1-chloro-6-methoxy-2-methyl-1H-isoquinoline
CID 141404601
1-(3-methoxyphenyl)-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773622
6-methoxy-1-methyl-1,2-dihydronaphthalene
CID 22667820
5-methoxy-1H-inden-1-amine
CID 82157971
(5S,11R)-3-chloro-9-methoxy-5-piperazin-1-yl-5,6-dihydrobenzo[b][1]benzothiepine 11-oxide
CID 92967246
1-(3,5-dimethoxyphenyl)piperazine
CID 2736205
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
1-[1-[(2-bromo-5-methoxyphenyl)methyl]azetidin-3-yl]piperazine
CID 66196775

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline?
The IUPAC name of 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline (CID 143096897) is 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline.
What is the SMILES notation for 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline?
The canonical SMILES for 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline is COc1ccc2c(c1)C=CNC2N1CCNCC1.
What is the InChIKey of 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline?
The InChIKey is MAWHAFTUCKRNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-18-12-2-3-13-11(10-12)4-5-16-14(13)17-8-6-15-7-9-17/h2-5,10,14-16H,6-9H2,1H3.
What are the key properties of 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline?
6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline has a molecular weight of 245.33 g/mol, XLogP of 1.17, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1-piperazin-1-yl-1,2-dihydroisoquinoline is sourced from PubChem (CID 143096897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).