butan-2-yl 2-piperidin-3-ylacetate

C11H21NO2 — CID 62690309

IUPACbutan-2-yl 2-piperidin-3-ylacetate
SMILESCCC(C)OC(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)14-11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWLWNOZKBTDRXGI-UHFFFAOYSA-N
MW199.29 g/mol
LogP1.72
Rot. Bonds4

About butan-2-yl 2-piperidin-3-ylacetate

butan-2-yl 2-piperidin-3-ylacetate (PubChem CID 62690309) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is butan-2-yl 2-piperidin-3-ylacetate.

Molecular Properties

Compound Namebutan-2-yl 2-piperidin-3-ylacetate
PubChem CID62690309
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namebutan-2-yl 2-piperidin-3-ylacetate
SMILESCCC(C)OC(=O)CC1CCCNC1
InChIInChI=1S/C11H21NO2/c1-3-9(2)14-11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3
InChIKeyWLWNOZKBTDRXGI-UHFFFAOYSA-N
XLogP1.72
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 ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze butan-2-yl 2-piperidin-3-ylacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-piperidin-3-ylacetate;dihydrochloride
CID 141033576
ethyl 2-[(3S)-piperidin-3-yl]acetate
CID 7016849
3-methyl-1-piperidin-3-ylpentan-2-one
CID 116564111
2-ethoxyethyl 2-piperidin-3-ylacetate
CID 62690313
cyclobutyl 2-piperidin-3-ylacetate
CID 62690484
piperidin-3-ylmethyl 3-methylbutanoate
CID 56829531
2-propoxyethyl 2-piperidin-3-ylacetate
CID 63686889
ethyl 2-(azocan-5-yl)acetate
CID 123423074
methyl 3-piperidin-3-ylpropanoate;hydrochloride
CID 47000746
2-[(3S)-piperidin-3-yl]ethyl 2-methylpropanoate
CID 86319632
propan-2-yl 2-[methyl(piperidin-3-ylmethyl)amino]acetate
CID 106637068
2-methoxy-N-(piperidin-3-ylmethyl)butanamide
CID 119461438

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-piperidin-3-ylacetate?
The IUPAC name of butan-2-yl 2-piperidin-3-ylacetate (CID 62690309) is butan-2-yl 2-piperidin-3-ylacetate.
What is the SMILES notation for butan-2-yl 2-piperidin-3-ylacetate?
The canonical SMILES for butan-2-yl 2-piperidin-3-ylacetate is CCC(C)OC(=O)CC1CCCNC1.
What is the InChIKey of butan-2-yl 2-piperidin-3-ylacetate?
The InChIKey is WLWNOZKBTDRXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-9(2)14-11(13)7-10-5-4-6-12-8-10/h9-10,12H,3-8H2,1-2H3.
What are the key properties of butan-2-yl 2-piperidin-3-ylacetate?
butan-2-yl 2-piperidin-3-ylacetate has a molecular weight of 199.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-piperidin-3-ylacetate is sourced from PubChem (CID 62690309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).