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

C11H21NO2 — CID 86319632

IUPAC2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC[C@@H]1CCCNC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)14-7-5-10-4-3-6-12-8-10/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKRJZJJBYNZEEHC-JTQLQIEISA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds4

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

2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate (PubChem CID 86319632) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate.

Molecular Properties

Compound Name2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
PubChem CID86319632
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
SMILESCC(C)C(=O)OCC[C@@H]1CCCNC1
InChIInChI=1S/C11H21NO2/c1-9(2)11(13)14-7-5-10-4-3-6-12-8-10/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1
InChIKeyKRJZJJBYNZEEHC-JTQLQIEISA-N
XLogP1.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-piperidin-3-yl]ethyl 2,2,2-trichloroacetate
CID 86319491
N-cyclopentyl-2-(2-piperidin-3-ylethoxy)propanamide
CID 62357689
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
(3S)-3-(2-methoxyethyl)azepane
CID 97297954
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
N-(2-methoxyethyl)-2-(2-piperidin-3-ylethoxy)propanamide
CID 62357348
2,2-dimethyl-3-(2-piperidin-3-ylethoxy)propanoic acid
CID 106939866
3-(3-methylbutyl)piperidine
CID 53409753
piperidin-3-yl 2-methylpropanoate
CID 53409773
[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
2-(2-piperidin-3-ylethoxy)ethanol
CID 104680589

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate?
The IUPAC name of 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate (CID 86319632) is 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate.
What is the SMILES notation for 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate?
The canonical SMILES for 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate is CC(C)C(=O)OCC[C@@H]1CCCNC1.
What is the InChIKey of 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate?
The InChIKey is KRJZJJBYNZEEHC-JTQLQIEISA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)11(13)14-7-5-10-4-3-6-12-8-10/h9-10,12H,3-8H2,1-2H3/t10-/m0/s1.
What are the key properties of 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate?
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate has a molecular weight of 199.29 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate is sourced from PubChem (CID 86319632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).