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

C18H29N3O2 — CID 66564351

IUPACbenzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCN)CC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-2-20(13-11-19)14-17-10-6-7-12-21(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,19H2,1H3
InChIKeyPDGYKRMPXHYBRW-UHFFFAOYSA-N
MW319.45 g/mol
LogP2.46
Rot. Bonds7

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

benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate (PubChem CID 66564351) has the molecular formula C18H29N3O2 and a molecular weight of 319.45 g/mol. Its IUPAC name is benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
PubChem CID66564351
Molecular FormulaC18H29N3O2
Molecular Weight319.45 g/mol
Exact Mass319.23
IUPAC Namebenzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate
SMILESCCN(CCN)CC1CCCCN1C(=O)OCc1ccccc1
InChIInChI=1S/C18H29N3O2/c1-2-20(13-11-19)14-17-10-6-7-12-21(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,19H2,1H3
InChIKeyPDGYKRMPXHYBRW-UHFFFAOYSA-N
XLogP2.46
TPSA58.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze benzyl 2-[[2-aminoethyl(ethyl)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 (2S)-2-[[2-aminoethyl(ethyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564345
benzyl (2R)-2-[[ethyl(2-hydroxyethyl)amino]methyl]piperidine-1-carboxylate
CID 96552293
2-[ethyl-[[(2S)-1-phenylmethoxycarbonylpiperidin-2-yl]methyl]amino]acetic acid
CID 96552254
benzyl (2R)-2-[[2-aminoethyl(cyclopropyl)amino]methyl]pyrrolidine-1-carboxylate
CID 96552351
benzyl 2-[[(2-aminoacetyl)-methylamino]methyl]piperidine-1-carboxylate
CID 66564799
benzyl 2-[[2-hydroxyethyl(methyl)amino]methyl]pyrrolidine-1-carboxylate
CID 66564283
benzyl (2S)-2-[[(2-aminoacetyl)-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564793
N'-[[(2R)-1-benzylpiperidin-2-yl]methyl]-N'-ethylethane-1,2-diamine
CID 96552846
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
benzyl 2-(sulfanylmethyl)piperidine-1-carboxylate
CID 171314813
benzyl (2S)-2-[[[(2S)-2-aminopropanoyl]-methylamino]methyl]pyrrolidine-1-carboxylate
CID 66564868

Frequently Asked Questions

What is the IUPAC name of benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate?
The IUPAC name of benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate (CID 66564351) is benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate is CCN(CCN)CC1CCCCN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate?
The InChIKey is PDGYKRMPXHYBRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O2/c1-2-20(13-11-19)14-17-10-6-7-12-21(17)18(22)23-15-16-8-4-3-5-9-16/h3-5,8-9,17H,2,6-7,10-15,19H2,1H3.
What are the key properties of benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate?
benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate has a molecular weight of 319.45 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-[[2-aminoethyl(ethyl)amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66564351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).