benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

C18H28N2O3 — CID 96552293

IUPACbenzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-19(12-13-21)14-17-10-6-7-11-20(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17,21H,2,6-7,10-15H2,1H3/t17-/m1/s1
InChIKeyDKKKNTGBCSBRBJ-QGZVFWFLSA-N
MW320.43 g/mol
LogP2.49
Rot. Bonds7

About benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 96552293) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID96552293
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H28N2O3/c1-2-19(12-13-21)14-17-10-6-7-11-20(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17,21H,2,6-7,10-15H2,1H3/t17-/m1/s1
InChIKeyDKKKNTGBCSBRBJ-QGZVFWFLSA-N
XLogP2.49
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
CID 66564351
benzyl (2S)-2-[[2-aminoethyl(ethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564345
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564283
benzyl (2S)-2-[[cyclopropyl(2-hydroxyethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564329
benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 66564306
benzyl 2-(2-hydroxyethoxymethyl)piperidine-1-carboxylate
CID 66563825
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
2-[[benzyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylic acid
CID 175063335
benzyl 2-[[(2-chloroacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564724
benzyl (2R)-2-[[[(2S)-2-amino-3-methylbutanoyl]-methylamino]methyl]piperidine-1-carboxylate
CID 96552735

Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (CID 96552293) is benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is CCN(CCO)C[C@H]1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is DKKKNTGBCSBRBJ-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-19(12-13-21)14-17-10-6-7-11-20(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17,21H,2,6-7,10-15H2,1H3/t17-/m1/s1.
What are the key properties of benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 96552293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).