[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate

C15H22N2O2 — CID 134132630

IUPAC[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate
SMILESCNCCN1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-9-12-17-10-7-14(8-11-17)19-15(18)13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3
InChIKeyYHJMIEBEURJANR-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.53
Rot. Bonds5

About [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate

[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate (PubChem CID 134132630) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate.

Molecular Properties

Compound Name[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate
PubChem CID134132630
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate
SMILESCNCCN1CCC(OC(=O)c2ccccc2)CC1
InChIInChI=1S/C15H22N2O2/c1-16-9-12-17-10-7-14(8-11-17)19-15(18)13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3
InChIKeyYHJMIEBEURJANR-UHFFFAOYSA-N
XLogP1.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate?
The IUPAC name of [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate (CID 134132630) is [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate.
What is the SMILES notation for [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate?
The canonical SMILES for [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate is CNCCN1CCC(OC(=O)c2ccccc2)CC1.
What is the InChIKey of [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate?
The InChIKey is YHJMIEBEURJANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-16-9-12-17-10-7-14(8-11-17)19-15(18)13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3.
What are the key properties of [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate?
[1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate has a molecular weight of 262.35 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylamino)ethyl]piperidin-4-yl] benzoate is sourced from PubChem (CID 134132630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).