7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

C19H30N2O — CID 115075542

IUPAC7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCCC(C)(COc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C19H30N2O/c1-15(2)21-11-5-9-19(3,13-21)14-22-17-8-7-16-6-4-10-20-18(16)12-17/h7-8,12,15,20H,4-6,9-11,13-14H2,1-3H3
InChIKeyDJHHCRXKXRXZEP-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.93
Rot. Bonds4

About 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline

7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (PubChem CID 115075542) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
PubChem CID115075542
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
SMILESCC(C)N1CCCC(C)(COc2ccc3c(c2)NCCC3)C1
InChIInChI=1S/C19H30N2O/c1-15(2)21-11-5-9-19(3,13-21)14-22-17-8-7-16-6-4-10-20-18(16)12-17/h7-8,12,15,20H,4-6,9-11,13-14H2,1-3H3
InChIKeyDJHHCRXKXRXZEP-UHFFFAOYSA-N
XLogP3.93
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 ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(1,3-dimethylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075538
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 115076635
7-[(1,3-dimethylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075463
7-[(1,4-dimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075481
6-[(1-ethyl-3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074784
6-[(4-methylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074794
6-[(1-ethyl-3-methylazetidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075288
6-[(3-methylthiolan-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074777
6-(4-methyl-1-propan-2-ylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074698
7-(1,4-dimethylpiperidin-4-yl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075422
7-butoxy-1,2,3,4-tetrahydroquinoline
CID 107313953
7-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroquinoline
CID 115075397

Frequently Asked Questions

What is the IUPAC name of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline (CID 115075542) is 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is CC(C)N1CCCC(C)(COc2ccc3c(c2)NCCC3)C1.
What is the InChIKey of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
The InChIKey is DJHHCRXKXRXZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)21-11-5-9-19(3,13-21)14-22-17-8-7-16-6-4-10-20-18(16)12-17/h7-8,12,15,20H,4-6,9-11,13-14H2,1-3H3.
What are the key properties of 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline?
7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline has a molecular weight of 302.46 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-methyl-1-propan-2-ylpiperidin-3-yl)methoxy]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 115075542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).