2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate

C13H26N2O2 — CID 174656912

IUPAC2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCNCC1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(16)17-9-8-15-10-11-4-6-14-7-5-11/h11,14-15H,4-10H2,1-3H3
InChIKeyKDNUHJITMJATDD-UHFFFAOYSA-N
MW242.36 g/mol
LogP1.16
Rot. Bonds5

About 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate

2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate (PubChem CID 174656912) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
PubChem CID174656912
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Name2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OCCNCC1CCNCC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)12(16)17-9-8-15-10-11-4-6-14-7-5-11/h11,14-15H,4-10H2,1-3H3
InChIKeyKDNUHJITMJATDD-UHFFFAOYSA-N
XLogP1.16
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate 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

2-[(3S)-pyrrolidin-3-yl]ethyl 2,2-dimethylpropanoate
CID 174748022
2-piperidin-4-yloxyethyl 2,2-dimethylpropanoate
CID 174833207
2-(2-methoxyethoxy)-N-(piperidin-4-ylmethyl)ethanamine
CID 79707310
N-(piperidin-4-ylmethyl)-2-propan-2-yloxyethanamine
CID 104759387
ethyl 3-(piperidin-4-ylmethylamino)propanoate
CID 79707943
2-methyl-2-(piperidin-4-ylmethylamino)propanamide
CID 79707226
N-ethyl-N'-(piperidin-4-ylmethyl)ethane-1,2-diamine
CID 83962890
2-[2-(2,2-dimethylpropanoyloxy)ethylamino]acetate
CID 163539712
2-piperidin-4-ylethyl 2,2,2-trifluoroacetate
CID 159322408
2-(butylamino)ethyl 2,2-dimethylpropanoate
CID 82532408
2-[2-(piperidin-4-ylmethylamino)ethoxy]ethanol
CID 79708237
N-tert-butyl-2-(piperidin-4-ylmethylamino)acetamide
CID 115356303

Frequently Asked Questions

What is the IUPAC name of 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate?
The IUPAC name of 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate (CID 174656912) is 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate.
What is the SMILES notation for 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate?
The canonical SMILES for 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OCCNCC1CCNCC1.
What is the InChIKey of 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate?
The InChIKey is KDNUHJITMJATDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)12(16)17-9-8-15-10-11-4-6-14-7-5-11/h11,14-15H,4-10H2,1-3H3.
What are the key properties of 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate?
2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate has a molecular weight of 242.36 g/mol, XLogP of 1.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(piperidin-4-ylmethylamino)ethyl 2,2-dimethylpropanoate is sourced from PubChem (CID 174656912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).