ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate

C16H24N2O2 — CID 11150075

IUPACethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)12-17-15-8-10-18(11-9-15)13-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyKLHZOMQBLIGCGP-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.80
Rot. Bonds6

About ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate

ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate (PubChem CID 11150075) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate
PubChem CID11150075
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Nameethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate
SMILESCCOC(=O)CNC1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(19)12-17-15-8-10-18(11-9-15)13-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3
InChIKeyKLHZOMQBLIGCGP-UHFFFAOYSA-N
XLogP1.80
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate?
The IUPAC name of ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate (CID 11150075) is ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate.
What is the SMILES notation for ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate?
The canonical SMILES for ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate is CCOC(=O)CNC1CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate?
The InChIKey is KLHZOMQBLIGCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(19)12-17-15-8-10-18(11-9-15)13-14-6-4-3-5-7-14/h3-7,15,17H,2,8-13H2,1H3.
What are the key properties of ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate?
ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate has a molecular weight of 276.38 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-benzylpiperidin-4-yl)amino]acetate is sourced from PubChem (CID 11150075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).