6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine

C27H30N2 — CID 143705347

IUPAC6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine
SMILESCC1CCCN(Cc2cccc3ccccc23)C1.Cc1ccc2cnccc2c1
InChIInChI=1S/C17H21N.C10H9N/c1-14-6-5-11-18(12-14)13-16-9-4-8-15-7-2-3-10-17(15)16;1-8-2-3-10-7-11-5-4-9(10)6-8/h2-4,7-10,14H,5-6,11-13H2,1H3;2-7H,1H3
InChIKeyBHEZLRVQEXOOKY-UHFFFAOYSA-N
MW382.55 g/mol
LogP6.61
Rot. Bonds2

About 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine

6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine (PubChem CID 143705347) has the molecular formula C27H30N2 and a molecular weight of 382.55 g/mol. Its IUPAC name is 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine.

Molecular Properties

Compound Name6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine
PubChem CID143705347
Molecular FormulaC27H30N2
Molecular Weight382.55 g/mol
Exact Mass382.24
IUPAC Name6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine
SMILESCC1CCCN(Cc2cccc3ccccc23)C1.Cc1ccc2cnccc2c1
InChIInChI=1S/C17H21N.C10H9N/c1-14-6-5-11-18(12-14)13-16-9-4-8-15-7-2-3-10-17(15)16;1-8-2-3-10-7-11-5-4-9(10)6-8/h2-4,7-10,14H,5-6,11-13H2,1H3;2-7H,1H3
InChIKeyBHEZLRVQEXOOKY-UHFFFAOYSA-N
XLogP6.61
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.55
LogP ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The IUPAC name of 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine (CID 143705347) is 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine.
What is the SMILES notation for 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The canonical SMILES for 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine is CC1CCCN(Cc2cccc3ccccc23)C1.Cc1ccc2cnccc2c1.
What is the InChIKey of 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine?
The InChIKey is BHEZLRVQEXOOKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N.C10H9N/c1-14-6-5-11-18(12-14)13-16-9-4-8-15-7-2-3-10-17(15)16;1-8-2-3-10-7-11-5-4-9(10)6-8/h2-4,7-10,14H,5-6,11-13H2,1H3;2-7H,1H3.
What are the key properties of 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine?
6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine has a molecular weight of 382.55 g/mol, XLogP of 6.61, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine is sourced from PubChem (CID 143705347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).