3-methyl-7-piperidin-2-ylisoquinoline

C15H18N2 — CID 117325813

IUPAC3-methyl-7-piperidin-2-ylisoquinoline
SMILESCc1cc2ccc(C3CCCCN3)cc2cn1
InChIInChI=1S/C15H18N2/c1-11-8-12-5-6-13(9-14(12)10-17-11)15-4-2-3-7-16-15/h5-6,8-10,15-16H,2-4,7H2,1H3
InChIKeyDFADTFJOAHRWAS-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.36
Rot. Bonds1

About 3-methyl-7-piperidin-2-ylisoquinoline

3-methyl-7-piperidin-2-ylisoquinoline (PubChem CID 117325813) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-methyl-7-piperidin-2-ylisoquinoline.

Molecular Properties

Compound Name3-methyl-7-piperidin-2-ylisoquinoline
PubChem CID117325813
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC Name3-methyl-7-piperidin-2-ylisoquinoline
SMILESCc1cc2ccc(C3CCCCN3)cc2cn1
InChIInChI=1S/C15H18N2/c1-11-8-12-5-6-13(9-14(12)10-17-11)15-4-2-3-7-16-15/h5-6,8-10,15-16H,2-4,7H2,1H3
InChIKeyDFADTFJOAHRWAS-UHFFFAOYSA-N
XLogP3.36
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(6-methylnaphthalen-2-yl)piperidine
CID 116962309
2-methyl-5-pyrrolidin-2-ylpyridine;dihydrochloride
CID 170920850
(2R)-2-(6-methoxynaphthalen-2-yl)piperidine
CID 171195323
3-methyl-7-piperidin-4-ylisoquinoline
CID 117325822
6-[(2R)-piperidin-2-yl]naphthalen-2-ol
CID 171195375
(2S)-2-(6-methoxynaphthalen-2-yl)piperidine;hydrochloride
CID 171194817
6-[(2S)-piperidin-2-yl]naphthalen-2-ol;hydrochloride
CID 171194869
4,6-dimethyl-N-(5-piperidin-2-yl-2-pyridinyl)pyrimidin-2-amine
CID 110266713
2-methyl-4-pyrrolidin-2-ylpyridine;dihydrochloride
CID 155487324
6-(azepan-2-yl)-1H-indazole
CID 81146636
7-piperidin-2-ylquinoline
CID 81224004
1-methyl-6-piperidin-2-ylindazole;hydrochloride
CID 154883669

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-piperidin-2-ylisoquinoline?
The IUPAC name of 3-methyl-7-piperidin-2-ylisoquinoline (CID 117325813) is 3-methyl-7-piperidin-2-ylisoquinoline.
What is the SMILES notation for 3-methyl-7-piperidin-2-ylisoquinoline?
The canonical SMILES for 3-methyl-7-piperidin-2-ylisoquinoline is Cc1cc2ccc(C3CCCCN3)cc2cn1.
What is the InChIKey of 3-methyl-7-piperidin-2-ylisoquinoline?
The InChIKey is DFADTFJOAHRWAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11-8-12-5-6-13(9-14(12)10-17-11)15-4-2-3-7-16-15/h5-6,8-10,15-16H,2-4,7H2,1H3.
What are the key properties of 3-methyl-7-piperidin-2-ylisoquinoline?
3-methyl-7-piperidin-2-ylisoquinoline has a molecular weight of 226.32 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-piperidin-2-ylisoquinoline is sourced from PubChem (CID 117325813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).