8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline

C14H21N3O — CID 82582988

IUPAC8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(N2CCNCC2)c2c1CNCC2
InChIInChI=1S/C14H21N3O/c1-18-14-3-2-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14/h2-3,15-16H,4-10H2,1H3
InChIKeyHLEQOMRNAAHSNH-UHFFFAOYSA-N
MW247.34 g/mol
LogP0.75
Rot. Bonds2

About 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline

8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82582988) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
PubChem CID82582988
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(N2CCNCC2)c2c1CNCC2
InChIInChI=1S/C14H21N3O/c1-18-14-3-2-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14/h2-3,15-16H,4-10H2,1H3
InChIKeyHLEQOMRNAAHSNH-UHFFFAOYSA-N
XLogP0.75
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
CID 82582998
1-(3-fluoro-2,4-dimethoxyphenyl)piperazine
CID 84800502
1-(2-methoxy-4-methylphenyl)piperazine
CID 10488507
ethane;5-methoxy-8-methyl-1,2,3,4-tetrahydroisoquinoline
CID 145416816
1-(4-iodo-2-methoxyphenyl)piperazine
CID 134534497
1-(5-fluoro-2-methoxyphenyl)piperazine;hydrochloride
CID 71756588
N,N-diethyl-8-methoxy-1,2,3,4-tetrahydroisoquinolin-5-amine
CID 82582986
5-methoxy-8-(4-methoxyphenyl)-1,2,3,4-tetrahydroisoquinoline
CID 82583404
1-(4,5-dimethoxy-2-methylphenyl)piperazine
CID 82476463
1-[5-(fluoromethyl)-2-methoxyphenyl]piperazine
CID 140978412
(3-methoxy-4-piperazin-1-ylphenyl)methanol
CID 84788686
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline (CID 82582988) is 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline is COc1ccc(N2CCNCC2)c2c1CNCC2.
What is the InChIKey of 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is HLEQOMRNAAHSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-18-14-3-2-13(17-8-6-15-7-9-17)11-4-5-16-10-12(11)14/h2-3,15-16H,4-10H2,1H3.
What are the key properties of 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline?
8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 247.34 g/mol, XLogP of 0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-piperazin-1-yl-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82582988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).