1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

C18H26N2O — CID 82260237

IUPAC1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2cc(CC3CCNCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-2-18(21)20-11-3-4-16-13-15(5-6-17(16)20)12-14-7-9-19-10-8-14/h5-6,13-14,19H,2-4,7-12H2,1H3
InChIKeyYEPMSSZGEWAQNP-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.92
Rot. Bonds3

About 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one

1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 82260237) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
PubChem CID82260237
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
SMILESCCC(=O)N1CCCc2cc(CC3CCNCC3)ccc21
InChIInChI=1S/C18H26N2O/c1-2-18(21)20-11-3-4-16-13-15(5-6-17(16)20)12-14-7-9-19-10-8-14/h5-6,13-14,19H,2-4,7-12H2,1H3
InChIKeyYEPMSSZGEWAQNP-UHFFFAOYSA-N
XLogP2.92
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260239
1-[6-(2-piperazin-1-ylethyl)-3,4-dihydro-2H-quinolin-1-yl]butan-1-one
CID 95414968
2-methyl-1-[6-(piperidin-3-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82260294
2,2-dimethyl-1-[5-(piperidin-3-ylmethyl)-2,3-dihydroindol-1-yl]propan-1-one
CID 82260273
4-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)piperidine
CID 23294446
1-[6-(2-bromo-4-methylpentyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one
CID 82259523
1-[2-(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)ethyl]piperidine-3-carboxylic acid
CID 82260406
1-methyl-6-(2-piperidin-4-ylethyl)-3,4-dihydro-2H-quinoline
CID 62095616
2-[(1-propanoyl-3,4-dihydro-2H-quinolin-6-yl)oxy]acetic acid
CID 137347729
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
1-[(1-propanoyl-2,3-dihydroindol-5-yl)methyl]-3-propan-2-ylurea
CID 53090025
1-(6-amino-3,4-dihydro-2H-quinolin-1-yl)-2-cyclobutylethanone
CID 103161499

Frequently Asked Questions

What is the IUPAC name of 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one (CID 82260237) is 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is CCC(=O)N1CCCc2cc(CC3CCNCC3)ccc21.
What is the InChIKey of 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is YEPMSSZGEWAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-2-18(21)20-11-3-4-16-13-15(5-6-17(16)20)12-14-7-9-19-10-8-14/h5-6,13-14,19H,2-4,7-12H2,1H3.
What are the key properties of 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one?
1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 286.42 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(piperidin-4-ylmethyl)-3,4-dihydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 82260237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).