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

C18H28N2O — CID 115075088

IUPAC5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCCCC1COc1cccc2c1CCCN2
InChIInChI=1S/C18H28N2O/c1-14(2)20-12-4-3-7-15(20)13-21-18-10-5-9-17-16(18)8-6-11-19-17/h5,9-10,14-15,19H,3-4,6-8,11-13H2,1-2H3
InChIKeyXQRZLTFUZPTBAT-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.69
Rot. Bonds4

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

5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075088) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075088
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCCCC1COc1cccc2c1CCCN2
InChIInChI=1S/C18H28N2O/c1-14(2)20-12-4-3-7-15(20)13-21-18-10-5-9-17-16(18)8-6-11-19-17/h5,9-10,14-15,19H,3-4,6-8,11-13H2,1-2H3
InChIKeyXQRZLTFUZPTBAT-UHFFFAOYSA-N
XLogP3.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075088) is 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CC(C)N1CCCCC1COc1cccc2c1CCCN2.
What is the InChIKey of 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is XQRZLTFUZPTBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14(2)20-12-4-3-7-15(20)13-21-18-10-5-9-17-16(18)8-6-11-19-17/h5,9-10,14-15,19H,3-4,6-8,11-13H2,1-2H3.
What are the key properties of 5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
5-[(1-propan-2-ylpiperidin-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 288.43 g/mol, XLogP of 3.69, 4 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-2-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).