piperidin-3-ylmethyl 3-methylbutanoate

C11H21NO2 — CID 56829531

IUPACpiperidin-3-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCNC1
InChIInChI=1S/C11H21NO2/c1-9(2)6-11(13)14-8-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyUWPODPKQIQBCKN-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.58
Rot. Bonds4

About piperidin-3-ylmethyl 3-methylbutanoate

piperidin-3-ylmethyl 3-methylbutanoate (PubChem CID 56829531) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is piperidin-3-ylmethyl 3-methylbutanoate.

Molecular Properties

Compound Namepiperidin-3-ylmethyl 3-methylbutanoate
PubChem CID56829531
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namepiperidin-3-ylmethyl 3-methylbutanoate
SMILESCC(C)CC(=O)OCC1CCCNC1
InChIInChI=1S/C11H21NO2/c1-9(2)6-11(13)14-8-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3
InChIKeyUWPODPKQIQBCKN-UHFFFAOYSA-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

[(3S)-piperidin-3-yl]methyl acetate
CID 11194466
piperidin-3-ylmethyl cyclopropanecarboxylate
CID 56829549
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
methyl 2-[[(3S)-piperidin-3-yl]methoxy]acetate
CID 169177589
N-(2-methylpropoxy)-2-piperidin-3-ylacetamide
CID 82722311
(3R)-3-(3-methylbutoxymethyl)piperidine
CID 26190551
pyrrolidin-3-ylmethyl butanoate
CID 143112520
1-(piperidin-3-ylmethoxy)propan-2-ol
CID 106937756
butan-2-yl 2-piperidin-3-ylacetate
CID 62690309
methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
methyl pyrrolidin-3-ylmethyl carbonate
CID 79337934

Frequently Asked Questions

What is the IUPAC name of piperidin-3-ylmethyl 3-methylbutanoate?
The IUPAC name of piperidin-3-ylmethyl 3-methylbutanoate (CID 56829531) is piperidin-3-ylmethyl 3-methylbutanoate.
What is the SMILES notation for piperidin-3-ylmethyl 3-methylbutanoate?
The canonical SMILES for piperidin-3-ylmethyl 3-methylbutanoate is CC(C)CC(=O)OCC1CCCNC1.
What is the InChIKey of piperidin-3-ylmethyl 3-methylbutanoate?
The InChIKey is UWPODPKQIQBCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-9(2)6-11(13)14-8-10-4-3-5-12-7-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of piperidin-3-ylmethyl 3-methylbutanoate?
piperidin-3-ylmethyl 3-methylbutanoate 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 piperidin-3-ylmethyl 3-methylbutanoate is sourced from PubChem (CID 56829531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).