benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride

C17H25ClN2O4 — CID 70136146

IUPACbenzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)CC1(N)CCN(C(=O)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-2-22-15(20)12-17(18)8-10-19(11-9-17)16(21)23-13-14-6-4-3-5-7-14;/h3-7H,2,8-13,18H2,1H3;1H
InChIKeyXDJROSVJMSIVLK-UHFFFAOYSA-N
MW356.85 g/mol
LogP2.49
Rot. Bonds5

About benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride

benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 70136146) has the molecular formula C17H25ClN2O4 and a molecular weight of 356.85 g/mol. Its IUPAC name is benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Namebenzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
PubChem CID70136146
Molecular FormulaC17H25ClN2O4
Molecular Weight356.85 g/mol
Exact Mass356.15
IUPAC Namebenzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride
SMILESCCOC(=O)CC1(N)CCN(C(=O)OCc2ccccc2)CC1.Cl
InChIInChI=1S/C17H24N2O4.ClH/c1-2-22-15(20)12-17(18)8-10-19(11-9-17)16(21)23-13-14-6-4-3-5-7-14;/h3-7H,2,8-13,18H2,1H3;1H
InChIKeyXDJROSVJMSIVLK-UHFFFAOYSA-N
XLogP2.49
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-amino-3-(2-ethoxy-2-oxoethyl)azetidine-1-carboxylate
CID 90202541
1-O-benzyl 4-O-methyl 4-[(3-ethoxy-3-oxopropanoyl)amino]piperidine-1,4-dicarboxylate
CID 70987725
2-(4-methyl-1-phenylmethoxycarbonylpiperidin-4-yl)acetic acid
CID 167735638
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl (3S)-3-amino-3-(fluoromethyl)pyrrolidine-1-carboxylate
CID 124634406
1-O-benzyl 3-O-ethyl (3S)-3-(hydroxymethyl)pyrrolidine-1,3-dicarboxylate
CID 155818759
benzyl 4-hydroxy-4-(hydroxymethyl)piperidine-1-carboxylate;ethane
CID 143991995
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-ethenyl-4-ethylpiperidine-1-carboxylate
CID 177321267
benzyl (3R)-3-amino-3-methylpiperidine-1-carboxylate;hydrochloride
CID 119081423
benzyl 4-(3-ethoxy-3-oxopropyl)piperidine-1-carboxylate
CID 14989191
1-O-benzyl 4-O-ethyl 4-methyl-5-oxoazepane-1,4-dicarboxylate
CID 169265710

Frequently Asked Questions

What is the IUPAC name of benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride (CID 70136146) is benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride is CCOC(=O)CC1(N)CCN(C(=O)OCc2ccccc2)CC1.Cl.
What is the InChIKey of benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is XDJROSVJMSIVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4.ClH/c1-2-22-15(20)12-17(18)8-10-19(11-9-17)16(21)23-13-14-6-4-3-5-7-14;/h3-7H,2,8-13,18H2,1H3;1H.
What are the key properties of benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride?
benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 356.85 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-amino-4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 70136146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).