2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate

C12H23NO3 — CID 174833207

IUPAC2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)11(14)16-9-8-15-10-4-6-13-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyBPTBMZISIIZWON-UHFFFAOYSA-N
MW229.32 g/mol
LogP1.34
Rot. Bonds4

About 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate

2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate (PubChem CID 174833207) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
PubChem CID174833207
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCOC1CCNCC1
InChIInChI=1S/C12H23NO3/c1-12(2,3)11(14)16-9-8-15-10-4-6-13-7-5-10/h10,13H,4-9H2,1-3H3
InChIKeyBPTBMZISIIZWON-UHFFFAOYSA-N
XLogP1.34
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-piperidin-4-yloxyethyl acetate;hydrochloride
CID 172841585
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
[carbamoyl(piperidin-4-yloxymethyl)amino] 2,2-dimethylpropanoate
CID 174521285
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
2-[(2-methylpropan-2-yl)oxy]ethyl 2-piperidin-4-yloxyacetate
CID 112588078
2-methylpropyl 3-piperidin-4-yloxypropanoate
CID 63869912
1-tert-butylsulfonyl-5-piperidin-4-yloxypentan-3-one
CID 106736432
2-cyclobutylethyl 3-piperidin-4-yloxypropanoate
CID 106203080
3-methyl-3-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 64702490
2-(3-methoxypropoxy)ethyl 3-piperidin-4-yloxypropanoate
CID 103178763
(2S)-3,3-dimethyl-2-(3-piperidin-4-yloxypropanoylamino)butanoic acid
CID 63902962

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate (CID 174833207) is 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCOC1CCNCC1.
What is the InChIKey of 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate?
The InChIKey is BPTBMZISIIZWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3/c1-12(2,3)11(14)16-9-8-15-10-4-6-13-7-5-10/h10,13H,4-9H2,1-3H3.
What are the key properties of 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate?
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate has a molecular weight of 229.32 g/mol, XLogP of 1.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174833207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).