[piperidin-1-yl(quinolin-2-yl)methyl] acetate

C17H20N2O2 — CID 164671851

IUPAC[piperidin-1-yl(quinolin-2-yl)methyl] acetate
SMILESCC(=O)OC(c1ccc2ccccc2n1)N1CCCCC1
InChIInChI=1S/C17H20N2O2/c1-13(20)21-17(19-11-5-2-6-12-19)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-10,17H,2,5-6,11-12H2,1H3
InChIKeyXITMKPBISMPNHG-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.28
Rot. Bonds3

About [piperidin-1-yl(quinolin-2-yl)methyl] acetate

[piperidin-1-yl(quinolin-2-yl)methyl] acetate (PubChem CID 164671851) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [piperidin-1-yl(quinolin-2-yl)methyl] acetate.

Molecular Properties

Compound Name[piperidin-1-yl(quinolin-2-yl)methyl] acetate
PubChem CID164671851
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[piperidin-1-yl(quinolin-2-yl)methyl] acetate
SMILESCC(=O)OC(c1ccc2ccccc2n1)N1CCCCC1
InChIInChI=1S/C17H20N2O2/c1-13(20)21-17(19-11-5-2-6-12-19)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-10,17H,2,5-6,11-12H2,1H3
InChIKeyXITMKPBISMPNHG-UHFFFAOYSA-N
XLogP3.28
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-2-amino-2-quinolin-2-ylacetate
CID 131435940
azepan-1-yl(quinolin-2-yl)methanone
CID 7779308
N-piperidin-1-ylquinoline-2-carboxamide
CID 9270998
1-[quinolin-2-yl-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 3995629
S-(2,3-dihydroxy-3-quinolin-2-ylpropyl) ethanethioate
CID 170822150
N-[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]quinoline-2-carboxamide
CID 41411203
(1S)-1-quinolin-2-ylethanamine;hydrochloride
CID 171236571
(1R)-1-quinolin-2-ylethanamine;hydrochloride
CID 171216934
1-[(3,4-dichlorophenyl)-quinolin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3915876
tert-butyl 2-quinolin-2-ylpropanoate
CID 116645148
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
ethyl 3-amino-3-quinolin-2-ylpropanoate
CID 64955956

Frequently Asked Questions

What is the IUPAC name of [piperidin-1-yl(quinolin-2-yl)methyl] acetate?
The IUPAC name of [piperidin-1-yl(quinolin-2-yl)methyl] acetate (CID 164671851) is [piperidin-1-yl(quinolin-2-yl)methyl] acetate.
What is the SMILES notation for [piperidin-1-yl(quinolin-2-yl)methyl] acetate?
The canonical SMILES for [piperidin-1-yl(quinolin-2-yl)methyl] acetate is CC(=O)OC(c1ccc2ccccc2n1)N1CCCCC1.
What is the InChIKey of [piperidin-1-yl(quinolin-2-yl)methyl] acetate?
The InChIKey is XITMKPBISMPNHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-13(20)21-17(19-11-5-2-6-12-19)16-10-9-14-7-3-4-8-15(14)18-16/h3-4,7-10,17H,2,5-6,11-12H2,1H3.
What are the key properties of [piperidin-1-yl(quinolin-2-yl)methyl] acetate?
[piperidin-1-yl(quinolin-2-yl)methyl] acetate has a molecular weight of 284.36 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [piperidin-1-yl(quinolin-2-yl)methyl] acetate is sourced from PubChem (CID 164671851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).