5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

C17H26N2O — CID 115076287

IUPAC5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC(Oc2cccc3c2CCNC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-4-6-15(12-19)20-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7,13,15,18H,4,6,8-12H2,1-2H3
InChIKeyZUTJLFKULDLZFG-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.58
Rot. Bonds3

About 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline

5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (PubChem CID 115076287) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.

Molecular Properties

Compound Name5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
PubChem CID115076287
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
SMILESCC(C)N1CCCC(Oc2cccc3c2CCNC3)C1
InChIInChI=1S/C17H26N2O/c1-13(2)19-10-4-6-15(12-19)20-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7,13,15,18H,4,6,8-12H2,1-2H3
InChIKeyZUTJLFKULDLZFG-UHFFFAOYSA-N
XLogP2.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(1-methylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076283
8-(1-propan-2-ylpyrrolidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076688
5-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076188
4-(1-propan-2-ylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074410
3-(4-fluorophenoxy)-1-propan-2-ylpiperidine
CID 138636971
4-piperidin-3-yloxy-2,3-dihydro-1H-isoindole
CID 115075917
8-(1-propan-2-ylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075598
4-(4,4-dimethylcyclohexyl)oxy-2,3-dihydro-1H-isoindole
CID 115075824
8-(3-methylcyclopentyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076747
7-(1-methylpiperidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115075020
5-[(2-methyl-1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076173
(3R)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)piperidine
CID 26191291

Frequently Asked Questions

What is the IUPAC name of 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The IUPAC name of 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline (CID 115076287) is 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline.
What is the SMILES notation for 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The canonical SMILES for 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is CC(C)N1CCCC(Oc2cccc3c2CCNC3)C1.
What is the InChIKey of 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
The InChIKey is ZUTJLFKULDLZFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-13(2)19-10-4-6-15(12-19)20-17-7-3-5-14-11-18-9-8-16(14)17/h3,5,7,13,15,18H,4,6,8-12H2,1-2H3.
What are the key properties of 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline?
5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline has a molecular weight of 274.41 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-propan-2-ylpiperidin-3-yl)oxy-1,2,3,4-tetrahydroisoquinoline is sourced from PubChem (CID 115076287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).