8-(2-piperidin-3-ylethoxymethyl)quinoline

C17H22N2O — CID 62356483

IUPAC8-(2-piperidin-3-ylethoxymethyl)quinoline
SMILESc1cnc2c(COCCC3CCCNC3)cccc2c1
InChIInChI=1S/C17H22N2O/c1-5-15-7-3-10-19-17(15)16(6-1)13-20-11-8-14-4-2-9-18-12-14/h1,3,5-7,10,14,18H,2,4,8-9,11-13H2
InChIKeyVJXCNYRDLIXGOX-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.14
Rot. Bonds5

About 8-(2-piperidin-3-ylethoxymethyl)quinoline

8-(2-piperidin-3-ylethoxymethyl)quinoline (PubChem CID 62356483) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 8-(2-piperidin-3-ylethoxymethyl)quinoline.

Molecular Properties

Compound Name8-(2-piperidin-3-ylethoxymethyl)quinoline
PubChem CID62356483
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name8-(2-piperidin-3-ylethoxymethyl)quinoline
SMILESc1cnc2c(COCCC3CCCNC3)cccc2c1
InChIInChI=1S/C17H22N2O/c1-5-15-7-3-10-19-17(15)16(6-1)13-20-11-8-14-4-2-9-18-12-14/h1,3,5-7,10,14,18H,2,4,8-9,11-13H2
InChIKeyVJXCNYRDLIXGOX-UHFFFAOYSA-N
XLogP3.14
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-(piperidin-3-ylmethoxy)quinoline;dihydrochloride
CID 66523926
(3S)-3-(2-phenylmethoxyethyl)piperidine
CID 26192382
2-chloro-4-[2-[(3S)-piperidin-3-yl]ethoxymethyl]pyrimidine
CID 97163935
2-fluoro-3-(2-piperidin-3-ylethoxymethyl)benzonitrile
CID 107118727
8-(piperidin-2-ylmethoxymethyl)quinoline
CID 62341251
N-(piperidin-3-ylmethyl)quinolin-8-amine
CID 80553061
8-(cyclopentyloxymethyl)quinoline
CID 126674909
2-(quinolin-8-ylmethoxy)ethanamine
CID 62343014
2-[2-[(3R)-piperidin-3-yl]ethoxy]pyridine
CID 94409716
2-(2-piperidin-3-ylethoxymethyl)pyrazine
CID 71636598
2-bromo-4-[2-[(3R)-piperidin-3-yl]ethoxymethyl]pyridine
CID 97178263
(3S)-3-[2-[(3-bromophenyl)methoxy]ethyl]piperidine
CID 86321717

Frequently Asked Questions

What is the IUPAC name of 8-(2-piperidin-3-ylethoxymethyl)quinoline?
The IUPAC name of 8-(2-piperidin-3-ylethoxymethyl)quinoline (CID 62356483) is 8-(2-piperidin-3-ylethoxymethyl)quinoline.
What is the SMILES notation for 8-(2-piperidin-3-ylethoxymethyl)quinoline?
The canonical SMILES for 8-(2-piperidin-3-ylethoxymethyl)quinoline is c1cnc2c(COCCC3CCCNC3)cccc2c1.
What is the InChIKey of 8-(2-piperidin-3-ylethoxymethyl)quinoline?
The InChIKey is VJXCNYRDLIXGOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-5-15-7-3-10-19-17(15)16(6-1)13-20-11-8-14-4-2-9-18-12-14/h1,3,5-7,10,14,18H,2,4,8-9,11-13H2.
What are the key properties of 8-(2-piperidin-3-ylethoxymethyl)quinoline?
8-(2-piperidin-3-ylethoxymethyl)quinoline has a molecular weight of 270.38 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-piperidin-3-ylethoxymethyl)quinoline is sourced from PubChem (CID 62356483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).