2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline

C15H22N2 — CID 58777938

IUPAC2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(C3CCNCC3)c2C1
InChIInChI=1S/C15H22N2/c1-17-10-7-12-3-2-4-14(15(12)11-17)13-5-8-16-9-6-13/h2-4,13,16H,5-11H2,1H3
InChIKeyUSWJQRXVDLXVGH-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.14
Rot. Bonds1

About 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline

2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline (PubChem CID 58777938) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline.

Molecular Properties

Compound Name2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
PubChem CID58777938
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline
SMILESCN1CCc2cccc(C3CCNCC3)c2C1
InChIInChI=1S/C15H22N2/c1-17-10-7-12-3-2-4-14(15(12)11-17)13-5-8-16-9-6-13/h2-4,13,16H,5-11H2,1H3
InChIKeyUSWJQRXVDLXVGH-UHFFFAOYSA-N
XLogP2.14
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The IUPAC name of 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline (CID 58777938) is 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline.
What is the SMILES notation for 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The canonical SMILES for 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline is CN1CCc2cccc(C3CCNCC3)c2C1.
What is the InChIKey of 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
The InChIKey is USWJQRXVDLXVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-10-7-12-3-2-4-14(15(12)11-17)13-5-8-16-9-6-13/h2-4,13,16H,5-11H2,1H3.
What are the key properties of 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline?
2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline has a molecular weight of 230.35 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-8-piperidin-4-yl-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 58777938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).