8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C19H24N4O — CID 82582998

IUPAC8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(N2CCN(c3ccccn3)CC2)c2c1CNCC2
InChIInChI=1S/C19H24N4O/c1-24-18-6-5-17(15-7-9-20-14-16(15)18)22-10-12-23(13-11-22)19-4-2-3-8-21-19/h2-6,8,20H,7,9-14H2,1H3
InChIKeyCWNRAXQCNLNLKJ-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.06
Rot. Bonds3

About 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline

8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 82582998) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID82582998
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCOc1ccc(N2CCN(c3ccccn3)CC2)c2c1CNCC2
InChIInChI=1S/C19H24N4O/c1-24-18-6-5-17(15-7-9-20-14-16(15)18)22-10-12-23(13-11-22)19-4-2-3-8-21-19/h2-6,8,20H,7,9-14H2,1H3
InChIKeyCWNRAXQCNLNLKJ-UHFFFAOYSA-N
XLogP2.06
TPSA40.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluoro-2-methoxyphenyl)-4-pyridin-2-ylpiperazine
CID 133315766
1-[4-(2-methoxyphenyl)piperazin-1-yl]-2-(4-pyridin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 108530749
2-methoxy-4-(4-pyridin-2-ylpiperazin-1-yl)aniline
CID 63671263
1-methoxy-4-pyridin-2-ylpiperazine
CID 59857720
8-(4-methylpiperazin-1-yl)-5-phenylmethoxy-1,2,3,4-tetrahydroisoquinoline
CID 58794198
1-pyridin-2-yl-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine
CID 791258
ethane;4-piperazin-1-yl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine;propane
CID 171069989
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 12828463
(E)-1-(2-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6886426
4-methoxy-5,6,7,8-tetrahydro-1,6-naphthyridine
CID 84716986
1-[(4-methoxy-3-prop-2-ynoxyphenyl)methyl]-4-pyridin-2-ylpiperazine
CID 10131909
1-fluoro-4-pyridin-2-ylpiperazine
CID 143401045

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 82582998) is 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is COc1ccc(N2CCN(c3ccccn3)CC2)c2c1CNCC2.
What is the InChIKey of 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is CWNRAXQCNLNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-24-18-6-5-17(15-7-9-20-14-16(15)18)22-10-12-23(13-11-22)19-4-2-3-8-21-19/h2-6,8,20H,7,9-14H2,1H3.
What are the key properties of 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 324.43 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5-(4-pyridin-2-ylpiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 82582998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).