ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate

C10H19NO2 — CID 10679095

IUPACethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1CCNC[C@H]1C
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPUEZACXRXDUMTB-RKDXNWHRSA-N
MW185.27 g/mol
LogP1.19
Rot. Bonds3

About ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate

ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate (PubChem CID 10679095) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate
PubChem CID10679095
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nameethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate
SMILESCCOC(=O)C[C@H]1CCNC[C@H]1C
InChIInChI=1S/C10H19NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1
InChIKeyPUEZACXRXDUMTB-RKDXNWHRSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate?
The IUPAC name of ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate (CID 10679095) is ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate?
The canonical SMILES for ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate is CCOC(=O)C[C@H]1CCNC[C@H]1C.
What is the InChIKey of ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate?
The InChIKey is PUEZACXRXDUMTB-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-3-13-10(12)6-9-4-5-11-7-8(9)2/h8-9,11H,3-7H2,1-2H3/t8-,9-/m1/s1.
What are the key properties of ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate?
ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate has a molecular weight of 185.27 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S,4R)-3-methylpiperidin-4-yl]acetate is sourced from PubChem (CID 10679095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).