ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate

C12H23NO3 — CID 106940483

IUPACethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
SMILESCCCC(O[C@H]1CCCNC1)C(=O)OCC
InChIInChI=1S/C12H23NO3/c1-3-6-11(12(14)15-4-2)16-10-7-5-8-13-9-10/h10-11,13H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyMOBNHQGLBYBMBZ-VUWPPUDQSA-N
MW229.32 g/mol
LogP1.49
Rot. Bonds6

About ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate

ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate (PubChem CID 106940483) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate.

Molecular Properties

Compound Nameethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
PubChem CID106940483
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Nameethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
SMILESCCCC(O[C@H]1CCCNC1)C(=O)OCC
InChIInChI=1S/C12H23NO3/c1-3-6-11(12(14)15-4-2)16-10-7-5-8-13-9-10/h10-11,13H,3-9H2,1-2H3/t10-,11?/m0/s1
InChIKeyMOBNHQGLBYBMBZ-VUWPPUDQSA-N
XLogP1.49
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl 2-(piperidin-3-ylmethoxy)pentanoate
CID 83212553
ethyl 2-(oxetan-3-yloxy)pentanoate
CID 102605335
ethyl 2-(oxolan-3-yloxy)pentanoate
CID 83038172
2-[(3S)-piperidin-3-yl]oxy-N-propylpropanamide
CID 66245011
piperidin-3-yl 2-methylpropanoate
CID 53409773
diethyl 2-cyclohexyloxybutanedioate
CID 139989318
(4S)-4-cyclopentyloxy-2-methylheptan-3-one
CID 176614620
(3S)-3-(2-methylpentoxy)piperidine
CID 66247189
cyclohexyl 2-ethoxypentanoate
CID 70132370
ethyl 6-piperidin-3-yloxyhexanoate
CID 106939322
N-butan-2-yl-2-piperidin-3-yloxypropanamide
CID 43117602

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate?
The IUPAC name of ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate (CID 106940483) is ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate.
What is the SMILES notation for ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate?
The canonical SMILES for ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate is CCCC(O[C@H]1CCCNC1)C(=O)OCC.
What is the InChIKey of ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate?
The InChIKey is MOBNHQGLBYBMBZ-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H23NO3/c1-3-6-11(12(14)15-4-2)16-10-7-5-8-13-9-10/h10-11,13H,3-9H2,1-2H3/t10-,11?/m0/s1.
What are the key properties of ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate?
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate has a molecular weight of 229.32 g/mol, XLogP of 1.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate is sourced from PubChem (CID 106940483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).