5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

C15H22N2 — CID 81214550

IUPAC5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCCN1c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2/c1-12-5-2-3-10-17(12)15-7-4-6-13-11-16-9-8-14(13)15/h4,6-7,12,16H,2-3,5,8-11H2,1H3
InChIKeyUESSCMBXCVGIID-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.71
Rot. Bonds1

About 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline

5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (PubChem CID 81214550) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
PubChem CID81214550
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline
SMILESCC1CCCCN1c1cccc2c1CCNC2
InChIInChI=1S/C15H22N2/c1-12-5-2-3-10-17(12)15-7-4-6-13-11-16-9-8-14(13)15/h4,6-7,12,16H,2-3,5,8-11H2,1H3
InChIKeyUESSCMBXCVGIID-UHFFFAOYSA-N
XLogP2.71
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 ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline (CID 81214550) is 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is CC1CCCCN1c1cccc2c1CCNC2.
What is the InChIKey of 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is UESSCMBXCVGIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12-5-2-3-10-17(12)15-7-4-6-13-11-16-9-8-14(13)15/h4,6-7,12,16H,2-3,5,8-11H2,1H3.
What are the key properties of 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline?
5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 230.35 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpiperidin-1-yl)-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 81214550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).