(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate

C12H24N2O2 — CID 174587762

IUPAC(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(CN)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)11(15)16-10(8-13)9-4-6-14-7-5-9/h9-10,14H,4-8,13H2,1-3H3
InChIKeyJBOZEUFYWLUKCA-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.90
Rot. Bonds3

About (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate

(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate (PubChem CID 174587762) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
PubChem CID174587762
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC(CN)C1CCNCC1
InChIInChI=1S/C12H24N2O2/c1-12(2,3)11(15)16-10(8-13)9-4-6-14-7-5-9/h9-10,14H,4-8,13H2,1-3H3
InChIKeyJBOZEUFYWLUKCA-UHFFFAOYSA-N
XLogP0.90
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-4-yl)ethyl 2,2-dimethylpropanoate
CID 174702344
[2-(6-amino-2-pyridinyl)-1-piperidin-4-ylethyl] 2,2-dimethylpropanoate
CID 175271375
1-pyrrolidin-3-ylethyl 2,2-dimethylpropanoate
CID 174558406
(2-bromo-2-piperidin-4-ylacetyl) 2,2-dimethylpropanoate
CID 174528779
cyclopropylmethyl 2,2-dimethylpropanoate;[(1R)-1-cyclopropylpropyl] 2,2-dimethylpropanoate
CID 157339614
[(4-chlorophenyl)-piperidin-4-ylmethyl] 2,2-dimethylpropanoate
CID 174613743
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
piperidin-4-yl 2,2-dimethylpropanoate;hydrochloride
CID 175355615
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
CID 174656912
(2R)-4,4-dimethyl-2-piperidin-4-ylpentan-1-amine
CID 95241778
2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
(2-methyl-2-piperidin-4-ylpropanoyl) 2,2-dimethylpropanoate
CID 174519514

Frequently Asked Questions

What is the IUPAC name of (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate?
The IUPAC name of (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate (CID 174587762) is (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate.
What is the SMILES notation for (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate?
The canonical SMILES for (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC(CN)C1CCNCC1.
What is the InChIKey of (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate?
The InChIKey is JBOZEUFYWLUKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-12(2,3)11(15)16-10(8-13)9-4-6-14-7-5-9/h9-10,14H,4-8,13H2,1-3H3.
What are the key properties of (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate?
(2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate has a molecular weight of 228.34 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1-piperidin-4-ylethyl) 2,2-dimethylpropanoate is sourced from PubChem (CID 174587762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).