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

C9H17NO2 — CID 7016849

IUPACethyl 2-[(3S)-piperidin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCNC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyRJFIWCWTENIBKC-QMMMGPOBSA-N
MW171.24 g/mol
LogP0.94
Rot. Bonds3

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

ethyl 2-[(3S)-piperidin-3-yl]acetate (PubChem CID 7016849) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is ethyl 2-[(3S)-piperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3S)-piperidin-3-yl]acetate
PubChem CID7016849
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Nameethyl 2-[(3S)-piperidin-3-yl]acetate
SMILESCCOC(=O)C[C@@H]1CCCNC1
InChIInChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1
InChIKeyRJFIWCWTENIBKC-QMMMGPOBSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(azocan-5-yl)acetate
CID 123423074
ethyl 2-(piperidin-3-ylmethylamino)acetate
CID 80554026
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
2-propoxyethyl 2-piperidin-3-ylacetate
CID 63686889
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
ethyl 2-[cyclobutyl(piperidin-3-ylmethyl)amino]acetate
CID 120850265
2,2,2-trifluoroethyl 2-piperidin-3-ylacetate
CID 102548856
ethyl 2-(azetidin-3-yl)acetate;formic acid
CID 70080639
ethyl 2-[(1R,3S)-3-(2-ethoxy-2-oxoethyl)cyclohexyl]acetate
CID 58358703
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
ethyl 6-(piperidin-3-ylmethoxy)hexanoate
CID 83212380
ethyl 1-(2-piperidin-3-ylacetyl)piperidine-2-carboxylate
CID 62676158

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3S)-piperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3S)-piperidin-3-yl]acetate (CID 7016849) is ethyl 2-[(3S)-piperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3S)-piperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3S)-piperidin-3-yl]acetate is CCOC(=O)C[C@@H]1CCCNC1.
What is the InChIKey of ethyl 2-[(3S)-piperidin-3-yl]acetate?
The InChIKey is RJFIWCWTENIBKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h8,10H,2-7H2,1H3/t8-/m0/s1.
What are the key properties of ethyl 2-[(3S)-piperidin-3-yl]acetate?
ethyl 2-[(3S)-piperidin-3-yl]acetate has a molecular weight of 171.24 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3S)-piperidin-3-yl]acetate is sourced from PubChem (CID 7016849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).