1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline

C17H26N2 — CID 62095616

IUPAC1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(CCC3CCNCC3)ccc21
InChIInChI=1S/C17H26N2/c1-19-12-2-3-16-13-15(6-7-17(16)19)5-4-14-8-10-18-11-9-14/h6-7,13-14,18H,2-5,8-12H2,1H3
InChIKeyLZQJYWQTIICKFD-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.00
Rot. Bonds3

About 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline

1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline (PubChem CID 62095616) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
PubChem CID62095616
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
SMILESCN1CCCc2cc(CCC3CCNCC3)ccc21
InChIInChI=1S/C17H26N2/c1-19-12-2-3-16-13-15(6-7-17(16)19)5-4-14-8-10-18-11-9-14/h6-7,13-14,18H,2-5,8-12H2,1H3
InChIKeyLZQJYWQTIICKFD-UHFFFAOYSA-N
XLogP3.00
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline?
The IUPAC name of 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline (CID 62095616) is 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline?
The canonical SMILES for 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline is CN1CCCc2cc(CCC3CCNCC3)ccc21.
What is the InChIKey of 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline?
The InChIKey is LZQJYWQTIICKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19-12-2-3-16-13-15(6-7-17(16)19)5-4-14-8-10-18-11-9-14/h6-7,13-14,18H,2-5,8-12H2,1H3.
What are the key properties of 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline?
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline has a molecular weight of 258.41 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 62095616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).