2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline

C18H28N2 — CID 62211993

IUPAC2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCCC1CCNCC1
InChIInChI=1S/C18H28N2/c1-15-8-9-17-6-2-3-7-18(17)20(15)14-4-5-16-10-12-19-13-11-16/h2-3,6-7,15-16,19H,4-5,8-14H2,1H3
InChIKeyCNEMPTYQDHPZLW-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.61
Rot. Bonds4

About 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline

2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline (PubChem CID 62211993) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
PubChem CID62211993
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline
SMILESCC1CCc2ccccc2N1CCCC1CCNCC1
InChIInChI=1S/C18H28N2/c1-15-8-9-17-6-2-3-7-18(17)20(15)14-4-5-16-10-12-19-13-11-16/h2-3,6-7,15-16,19H,4-5,8-14H2,1H3
InChIKeyCNEMPTYQDHPZLW-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline (CID 62211993) is 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline is CC1CCc2ccccc2N1CCCC1CCNCC1.
What is the InChIKey of 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline?
The InChIKey is CNEMPTYQDHPZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-15-8-9-17-6-2-3-7-18(17)20(15)14-4-5-16-10-12-19-13-11-16/h2-3,6-7,15-16,19H,4-5,8-14H2,1H3.
What are the key properties of 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline?
2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline has a molecular weight of 272.44 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-piperidin-4-ylpropyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62211993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).