ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate

C14H28N2O2 — CID 62027944

IUPACethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CCN1CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-4-18-14(17)12-16(13(2)3)11-10-15-8-6-5-7-9-15/h13H,4-12H2,1-3H3
InChIKeyOWMQULHGDVPVMZ-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.75
Rot. Bonds7

About ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate

ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate (PubChem CID 62027944) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
PubChem CID62027944
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Nameethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate
SMILESCCOC(=O)CN(CCN1CCCCC1)C(C)C
InChIInChI=1S/C14H28N2O2/c1-4-18-14(17)12-16(13(2)3)11-10-15-8-6-5-7-9-15/h13H,4-12H2,1-3H3
InChIKeyOWMQULHGDVPVMZ-UHFFFAOYSA-N
XLogP1.75
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[2-morpholin-4-ylethyl(propan-2-yl)amino]acetate
CID 62027191
2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetic acid
CID 60840141
ethyl 2-[[2-(azepan-1-yl)-2-oxoethyl]-propan-2-ylamino]acetate
CID 61224895
ethyl 4-piperidin-1-ylbutanoate
CID 14044356
ethyl 2-[[3-(cyclohexylamino)-3-oxopropyl]-propan-2-ylamino]acetate
CID 62028525
ethyl 2-(azocan-1-yl)acetate
CID 25219274
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethyl-propan-2-ylamino]acetate
CID 112687535
ethyl 3-[methyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 62011437
ethyl 2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)-propan-2-ylamino]acetate
CID 62026818
ethyl 2-[methyl(piperidine-1-carbonyl)amino]acetate
CID 78984916
diethyl 2-(3-piperidin-1-ylpropyl)butanedioate
CID 90300751
ethyl 2-[(3-methoxy-3-methylbutyl)-propan-2-ylamino]acetate
CID 102977138

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate?
The IUPAC name of ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate (CID 62027944) is ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate?
The canonical SMILES for ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate is CCOC(=O)CN(CCN1CCCCC1)C(C)C.
What is the InChIKey of ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate?
The InChIKey is OWMQULHGDVPVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-4-18-14(17)12-16(13(2)3)11-10-15-8-6-5-7-9-15/h13H,4-12H2,1-3H3.
What are the key properties of ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate?
ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate has a molecular weight of 256.39 g/mol, XLogP of 1.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-piperidin-1-ylethyl(propan-2-yl)amino]acetate is sourced from PubChem (CID 62027944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).