benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

C18H28N2O3 — CID 66564306

IUPACbenzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCO)CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-2-19(11-12-21)13-17-9-6-10-20(14-17)18(22)23-15-16-7-4-3-5-8-16/h3-5,7-8,17,21H,2,6,9-15H2,1H3
InChIKeyZLFPUPNCSRRFBO-UHFFFAOYSA-N
MW320.43 g/mol
LogP2.35
Rot. Bonds7

About benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate

benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 66564306) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID66564306
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Namebenzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCO)CC1CCCN(C(=O)OCc2ccccc2)C1
InChIInChI=1S/C18H28N2O3/c1-2-19(11-12-21)13-17-9-6-10-20(14-17)18(22)23-15-16-7-4-3-5-8-16/h3-5,7-8,17,21H,2,6,9-15H2,1H3
InChIKeyZLFPUPNCSRRFBO-UHFFFAOYSA-N
XLogP2.35
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 ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl (3S)-3-[[cyclopropyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552079
benzyl 3-[[2-aminoethyl(methyl)amino]methyl]piperidine-1-carboxylate
CID 66564337
benzyl 3-(bromomethyl)piperidine-1-carboxylate
CID 23000675
benzyl 3-[[1-phenylethyl(propanoyl)amino]methyl]piperidine-1-carboxylate
CID 59807157
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293
benzyl (3S)-3-[[2-aminoethyl(cyclopropyl)amino]methyl]piperidine-1-carboxylate
CID 96552357
benzyl 3-[[(2-chloroacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564725
benzyl 3-[(N-propanoylanilino)methyl]azepane-1-carboxylate
CID 20598087
benzyl 3-methylpiperidine-1-carboxylate;ethane
CID 144599174
benzyl (3S)-3-(acetyloxymethyl)piperidine-1-carboxylate
CID 10589659
benzyl (3R)-3-[2-hydroxyethyl(propan-2-yl)amino]piperidine-1-carboxylate
CID 66564317
benzyl (3R)-3-(3-bromopropyl)piperidine-1-carboxylate
CID 97170477

Frequently Asked Questions

What is the IUPAC name of benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate (CID 66564306) is benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is CCN(CCO)CC1CCCN(C(=O)OCc2ccccc2)C1.
What is the InChIKey of benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is ZLFPUPNCSRRFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-2-19(11-12-21)13-17-9-6-10-20(14-17)18(22)23-15-16-7-4-3-5-8-16/h3-5,7-8,17,21H,2,6,9-15H2,1H3.
What are the key properties of benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate?
benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66564306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).