ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate

C12H24N2O2 — CID 115649950

IUPACethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C12H24N2O2/c1-5-16-12(15)10(3)13-11-6-7-14(4)8-9(11)2/h9-11,13H,5-8H2,1-4H3
InChIKeyDGLSDIDKDSSJNT-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.87
Rot. Bonds4

About ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate

ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate (PubChem CID 115649950) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate.

Molecular Properties

Compound Nameethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
PubChem CID115649950
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Nameethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
SMILESCCOC(=O)C(C)NC1CCN(C)CC1C
InChIInChI=1S/C12H24N2O2/c1-5-16-12(15)10(3)13-11-6-7-14(4)8-9(11)2/h9-11,13H,5-8H2,1-4H3
InChIKeyDGLSDIDKDSSJNT-UHFFFAOYSA-N
XLogP0.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1,3-dimethylpiperidin-4-yl)amino]-N-pentan-3-ylpropanamide
CID 115649947
ethyl 2-amino-3-[(1,3-dimethylpiperidin-4-yl)amino]-3-oxopropanoate
CID 114503628
methyl 2-[(1,3-dimethylpiperidin-4-yl)amino]butanoate
CID 114503255
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2-methylbutan-2-yl)propanamide
CID 115649935
2-[(1,3-dimethylpiperidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 115649942
ethyl 2-[2-(1-methylpiperidin-4-yl)ethylamino]propanoate
CID 114515449
methyl 2-bromo-3-[(1,3-dimethylpiperidin-4-yl)amino]propanoate
CID 103268568
ethyl 2-[(2,6-dimethylcyclohexyl)amino]propanoate
CID 61498288
N-(1-methoxypropan-2-yl)-1,3-dimethylpiperidin-4-amine
CID 115664125
(2S)-2-amino-N-(1,3-dimethylpiperidin-4-yl)butanamide
CID 103814191
ethyl 2-[(1-methylpiperidin-4-yl)oxycarbonylamino]propanoate
CID 58928695
2-hydroxyethyl N-(1,3-dimethylpiperidin-4-yl)carbamate
CID 114506096

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate?
The IUPAC name of ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate (CID 115649950) is ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate.
What is the SMILES notation for ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate?
The canonical SMILES for ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate is CCOC(=O)C(C)NC1CCN(C)CC1C.
What is the InChIKey of ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate?
The InChIKey is DGLSDIDKDSSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-5-16-12(15)10(3)13-11-6-7-14(4)8-9(11)2/h9-11,13H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate?
ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate has a molecular weight of 228.34 g/mol, XLogP of 0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1,3-dimethylpiperidin-4-yl)amino]propanoate is sourced from PubChem (CID 115649950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).