ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate

C14H28N2O2 — CID 120855221

IUPACethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)CC(C)(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)10-14(2,3)16(4)11-12-6-8-15-9-7-12/h12,15H,5-11H2,1-4H3
InChIKeyYSYIVMNTCDRHTL-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.65
Rot. Bonds6

About ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate

ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate (PubChem CID 120855221) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate
PubChem CID120855221
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate
SMILESCCOC(=O)CC(C)(C)N(C)CC1CCNCC1
InChIInChI=1S/C14H28N2O2/c1-5-18-13(17)10-14(2,3)16(4)11-12-6-8-15-9-7-12/h12,15H,5-11H2,1-4H3
InChIKeyYSYIVMNTCDRHTL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate?
The IUPAC name of ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate (CID 120855221) is ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate.
What is the SMILES notation for ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate?
The canonical SMILES for ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate is CCOC(=O)CC(C)(C)N(C)CC1CCNCC1.
What is the InChIKey of ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate?
The InChIKey is YSYIVMNTCDRHTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-13(17)10-14(2,3)16(4)11-12-6-8-15-9-7-12/h12,15H,5-11H2,1-4H3.
What are the key properties of ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate?
ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate has a molecular weight of 256.39 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-methyl-3-[methyl(piperidin-4-ylmethyl)amino]butanoate is sourced from PubChem (CID 120855221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).