2-piperidin-1-ylethyl 2-methylbutanoate

C12H23NO2 — CID 20697106

IUPAC2-piperidin-1-ylethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-11(2)12(14)15-10-9-13-7-5-4-6-8-13/h11H,3-10H2,1-2H3
InChIKeyQUUYHQRDBOVPHL-UHFFFAOYSA-N
MW213.32 g/mol
LogP2.06
Rot. Bonds5

About 2-piperidin-1-ylethyl 2-methylbutanoate

2-piperidin-1-ylethyl 2-methylbutanoate (PubChem CID 20697106) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-piperidin-1-ylethyl 2-methylbutanoate.

Molecular Properties

Compound Name2-piperidin-1-ylethyl 2-methylbutanoate
PubChem CID20697106
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Name2-piperidin-1-ylethyl 2-methylbutanoate
SMILESCCC(C)C(=O)OCCN1CCCCC1
InChIInChI=1S/C12H23NO2/c1-3-11(2)12(14)15-10-9-13-7-5-4-6-8-13/h11H,3-10H2,1-2H3
InChIKeyQUUYHQRDBOVPHL-UHFFFAOYSA-N
XLogP2.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-piperidin-1-ylethyl 2,3-dibromopropanoate
CID 162509304
2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl 2-methylbutanoate
CID 59779829
butyl 2-methyl-3-pyrrolidin-1-ylpropanoate
CID 139756168
bis(2-piperidin-1-ylethyl) butanedioate
CID 71369193
diethyl 2-(2-piperidin-1-ylethoxy)propanedioate
CID 57233413
2-(2-methylbutanoyloxy)ethyl cyclohexanecarboxylate
CID 118048088
2-piperidin-1-ylethyl hexanoate
CID 59204070
methane;2-piperidin-1-ylethyl 2,2-dimethylbutanoate
CID 157124650
2-piperidin-1-ylethyl 2-chloroacetate
CID 12849131
2-piperidin-1-ylethyl 2-bromoacetate
CID 162508900
2-methyl-4-piperidin-1-ylbutanamide
CID 23061678
2-piperidin-1-ylethyl heptadecanoate
CID 118631056

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylethyl 2-methylbutanoate?
The IUPAC name of 2-piperidin-1-ylethyl 2-methylbutanoate (CID 20697106) is 2-piperidin-1-ylethyl 2-methylbutanoate.
What is the SMILES notation for 2-piperidin-1-ylethyl 2-methylbutanoate?
The canonical SMILES for 2-piperidin-1-ylethyl 2-methylbutanoate is CCC(C)C(=O)OCCN1CCCCC1.
What is the InChIKey of 2-piperidin-1-ylethyl 2-methylbutanoate?
The InChIKey is QUUYHQRDBOVPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-3-11(2)12(14)15-10-9-13-7-5-4-6-8-13/h11H,3-10H2,1-2H3.
What are the key properties of 2-piperidin-1-ylethyl 2-methylbutanoate?
2-piperidin-1-ylethyl 2-methylbutanoate has a molecular weight of 213.32 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylethyl 2-methylbutanoate is sourced from PubChem (CID 20697106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).