ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate

C14H28N2O2 — CID 103502066

IUPACethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C(C)C)CC1)NC
InChIInChI=1S/C14H28N2O2/c1-5-18-14(17)13(15-4)10-16-8-6-12(7-9-16)11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyAXYJDISSBAJNAV-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.51
Rot. Bonds6

About ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate

ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate (PubChem CID 103502066) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate.

Molecular Properties

Compound Nameethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
PubChem CID103502066
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
SMILESCCOC(=O)C(CN1CCC(C(C)C)CC1)NC
InChIInChI=1S/C14H28N2O2/c1-5-18-14(17)13(15-4)10-16-8-6-12(7-9-16)11(2)3/h11-13,15H,5-10H2,1-4H3
InChIKeyAXYJDISSBAJNAV-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(propan-2-ylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate
CID 103501963
ethyl 3-[3-(aminomethyl)pyrrolidin-1-yl]-2-methylpropanoate
CID 62063969
ethyl 3-(4-cyclopentylpiperazin-1-yl)-2-methylpropanoate
CID 55068243
methyl 2-(methylamino)-3-(4-methylazepan-1-yl)propanoate
CID 63623762
ethyl 3-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylpropanoate
CID 79410419
ethyl 3-(3-aminoazetidin-1-yl)-2-methylpropanoate
CID 65250331
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
ethyl 2-methyl-3-(4-trimethylsilylpiperazin-1-yl)propanoate
CID 140660680
ethyl 4-(3-tert-butylpyrrolidin-1-yl)-2-(methylamino)butanoate
CID 113418606
ethyl 3-[3-(diethylamino)pyrrolidin-1-yl]-2-(propan-2-ylamino)propanoate
CID 63165603
tert-butyl 4-(3-ethoxy-2-methyl-3-oxopropyl)piperazine-1-carboxylate
CID 68759858
methyl 3-(4,4-diethylpiperidin-1-yl)-2-(methylamino)propanoate
CID 63159456

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The IUPAC name of ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate (CID 103502066) is ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate.
What is the SMILES notation for ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The canonical SMILES for ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate is CCOC(=O)C(CN1CCC(C(C)C)CC1)NC.
What is the InChIKey of ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
The InChIKey is AXYJDISSBAJNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-5-18-14(17)13(15-4)10-16-8-6-12(7-9-16)11(2)3/h11-13,15H,5-10H2,1-4H3.
What are the key properties of ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate?
ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate has a molecular weight of 256.39 g/mol, XLogP of 1.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(methylamino)-3-(4-propan-2-ylpiperidin-1-yl)propanoate is sourced from PubChem (CID 103502066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).