2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone

C16H22N2O — CID 54816802

IUPAC2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-10-4-1-5-11-17)13-18-12-6-8-14-7-2-3-9-15(14)18/h2-3,7,9H,1,4-6,8,10-13H2
InChIKeyVKRDIKBVKXTNDO-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.45
Rot. Bonds2

About 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone

2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone (PubChem CID 54816802) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
PubChem CID54816802
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone
SMILESO=C(CN1CCCc2ccccc21)N1CCCCC1
InChIInChI=1S/C16H22N2O/c19-16(17-10-4-1-5-11-17)13-18-12-6-8-14-7-2-3-9-15(14)18/h2-3,7,9H,1,4-6,8,10-13H2
InChIKeyVKRDIKBVKXTNDO-UHFFFAOYSA-N
XLogP2.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The IUPAC name of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone (CID 54816802) is 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone is O=C(CN1CCCc2ccccc21)N1CCCCC1.
What is the InChIKey of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
The InChIKey is VKRDIKBVKXTNDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c19-16(17-10-4-1-5-11-17)13-18-12-6-8-14-7-2-3-9-15(14)18/h2-3,7,9H,1,4-6,8,10-13H2.
What are the key properties of 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone?
2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone has a molecular weight of 258.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-quinolin-1-yl)-1-piperidin-1-ylethanone is sourced from PubChem (CID 54816802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).