5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

C19H30N2O — CID 115076173

IUPAC5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCCC1(C)COc1cccc2c1CCNC2
InChIInChI=1S/C19H30N2O/c1-15(2)21-12-5-4-10-19(21,3)14-22-18-8-6-7-16-13-20-11-9-17(16)18/h6-8,15,20H,4-5,9-14H2,1-3H3
InChIKeyLXRZCWDSNLTSNJ-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.36
Rot. Bonds4

About 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline

5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076173) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076173
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCCC1(C)COc1cccc2c1CCNC2
InChIInChI=1S/C19H30N2O/c1-15(2)21-12-5-4-10-19(21,3)14-22-18-8-6-7-16-13-20-11-9-17(16)18/h6-8,15,20H,4-5,9-14H2,1-3H3
InChIKeyLXRZCWDSNLTSNJ-UHFFFAOYSA-N
XLogP3.36
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline (CID 115076173) is 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCCCC1(C)COc1cccc2c1CCNC2.
What is the InChIKey of 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is LXRZCWDSNLTSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)21-12-5-4-10-19(21,3)14-22-18-8-6-7-16-13-20-11-9-17(16)18/h6-8,15,20H,4-5,9-14H2,1-3H3.
What are the key properties of 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline?
5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 302.46 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).