2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 103496417

IUPAC2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCC(C(C)C)CC3)ccc2N1
InChIInChI=1S/C18H28N2/c1-13(2)15-8-10-20(11-9-15)17-6-7-18-16(12-17)5-4-14(3)19-18/h6-7,12-15,19H,4-5,8-11H2,1-3H3
InChIKeyURIGHBDHGDUVJY-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.31
Rot. Bonds2

About 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline

2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (PubChem CID 103496417) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
PubChem CID103496417
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline
SMILESCC1CCc2cc(N3CCC(C(C)C)CC3)ccc2N1
InChIInChI=1S/C18H28N2/c1-13(2)15-8-10-20(11-9-15)17-6-7-18-16(12-17)5-4-14(3)19-18/h6-7,12-15,19H,4-5,8-11H2,1-3H3
InChIKeyURIGHBDHGDUVJY-UHFFFAOYSA-N
XLogP4.31
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline (CID 103496417) is 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is CC1CCc2cc(N3CCC(C(C)C)CC3)ccc2N1.
What is the InChIKey of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
The InChIKey is URIGHBDHGDUVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)15-8-10-20(11-9-15)17-6-7-18-16(12-17)5-4-14(3)19-18/h6-7,12-15,19H,4-5,8-11H2,1-3H3.
What are the key properties of 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline?
2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 4.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-propan-2-ylpiperidin-1-yl)-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 103496417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).