6-methoxy-7-piperidin-1-ylisoquinoline

C15H18N2O — CID 137347792

IUPAC6-methoxy-7-piperidin-1-ylisoquinoline
SMILESCOc1cc2ccncc2cc1N1CCCCC1
InChIInChI=1S/C15H18N2O/c1-18-15-10-12-5-6-16-11-13(12)9-14(15)17-7-3-2-4-8-17/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyVMAIMGWYLRXMHS-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.23
Rot. Bonds2

About 6-methoxy-7-piperidin-1-ylisoquinoline

6-methoxy-7-piperidin-1-ylisoquinoline (PubChem CID 137347792) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 6-methoxy-7-piperidin-1-ylisoquinoline.

Molecular Properties

Compound Name6-methoxy-7-piperidin-1-ylisoquinoline
PubChem CID137347792
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name6-methoxy-7-piperidin-1-ylisoquinoline
SMILESCOc1cc2ccncc2cc1N1CCCCC1
InChIInChI=1S/C15H18N2O/c1-18-15-10-12-5-6-16-11-13(12)9-14(15)17-7-3-2-4-8-17/h5-6,9-11H,2-4,7-8H2,1H3
InChIKeyVMAIMGWYLRXMHS-UHFFFAOYSA-N
XLogP3.23
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Morpholinylmethyl)-8-quinolinol
CID 1090303
5-(1-Piperidinylmethyl)-8-quinolinol
CID 279619
8-Methoxyquinoline
CID 70310
6,7-Dimethoxyisoquinoline
CID 177578
Prochelators, 2
CID 46863225
5-[[4-(2-Methoxyphenyl)piperazin-1-yl]methyl]quinolin-8-ol
CID 2303849
6-Methoxyisoquinoline
CID 11040978
5-((Diethylamino)methyl)quinolin-8-ol
CID 5118730
7-Methoxyisoquinoline
CID 594375
Prochelators, 3
CID 46863226
3-[(4-Methoxyphenyl)methyl]-2,4-dihydropyrido[3,2-h][1,3]benzoxazine
CID 326315
Methyl 3-phenyl-7-isoquinolinyl ether
CID 1235204

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-piperidin-1-ylisoquinoline?
The IUPAC name of 6-methoxy-7-piperidin-1-ylisoquinoline (CID 137347792) is 6-methoxy-7-piperidin-1-ylisoquinoline.
What is the SMILES notation for 6-methoxy-7-piperidin-1-ylisoquinoline?
The canonical SMILES for 6-methoxy-7-piperidin-1-ylisoquinoline is COc1cc2ccncc2cc1N1CCCCC1.
What is the InChIKey of 6-methoxy-7-piperidin-1-ylisoquinoline?
The InChIKey is VMAIMGWYLRXMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-18-15-10-12-5-6-16-11-13(12)9-14(15)17-7-3-2-4-8-17/h5-6,9-11H,2-4,7-8H2,1H3.
What are the key properties of 6-methoxy-7-piperidin-1-ylisoquinoline?
6-methoxy-7-piperidin-1-ylisoquinoline has a molecular weight of 242.32 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-piperidin-1-ylisoquinoline is sourced from PubChem (CID 137347792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).