6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline

C18H28N2 — CID 82255906

IUPAC6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN(C(C)Cc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C18H28N2/c1-14-5-4-10-20(13-14)15(2)11-16-7-8-18-17(12-16)6-3-9-19-18/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3
InChIKeyGZNVUXBJDSUHMW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.71
Rot. Bonds3

About 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline

6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline (PubChem CID 82255906) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
PubChem CID82255906
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline
SMILESCC1CCCN(C(C)Cc2ccc3c(c2)CCCN3)C1
InChIInChI=1S/C18H28N2/c1-14-5-4-10-20(13-14)15(2)11-16-7-8-18-17(12-16)6-3-9-19-18/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3
InChIKeyGZNVUXBJDSUHMW-UHFFFAOYSA-N
XLogP3.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline (CID 82255906) is 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline is CC1CCCN(C(C)Cc2ccc3c(c2)CCCN3)C1.
What is the InChIKey of 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline?
The InChIKey is GZNVUXBJDSUHMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-14-5-4-10-20(13-14)15(2)11-16-7-8-18-17(12-16)6-3-9-19-18/h7-8,12,14-15,19H,3-6,9-11,13H2,1-2H3.
What are the key properties of 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline?
6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline has a molecular weight of 272.44 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methylpiperidin-1-yl)propyl]-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 82255906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).