ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate

C17H26N2O3 — CID 86709519

IUPACethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(CCN)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C17H26N2O3/c1-2-22-16(21)17(8-10-18)9-11-19(13-15(17)20)12-14-6-4-3-5-7-14/h3-7,15,20H,2,8-13,18H2,1H3
InChIKeyXOLLSWZTAYUGBU-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.15
Rot. Bonds6

About ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate

ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate (PubChem CID 86709519) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate
PubChem CID86709519
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Nameethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate
SMILESCCOC(=O)C1(CCN)CCN(Cc2ccccc2)CC1O
InChIInChI=1S/C17H26N2O3/c1-2-22-16(21)17(8-10-18)9-11-19(13-15(17)20)12-14-6-4-3-5-7-14/h3-7,15,20H,2,8-13,18H2,1H3
InChIKeyXOLLSWZTAYUGBU-UHFFFAOYSA-N
XLogP1.15
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
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ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
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(3R,4S)-1-benzyl-4-methylpiperidine-3,4-diol
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methyl 3-(aminomethyl)-1-benzylpyrrolidine-3-carboxylate
CID 67228894
ethyl (4R)-1-benzyl-4-bromo-3-oxopiperidine-4-carboxylate
CID 95731690
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
(3R,4S)-4-benzyl-3-hydroxy-1-[(2-methylpyrimidin-5-yl)methyl]piperidine-4-carboxylic acid
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6-benzyl-6-azaspiro[2.5]octan-8-ol
CID 66783213

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate?
The IUPAC name of ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate (CID 86709519) is ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate?
The canonical SMILES for ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate is CCOC(=O)C1(CCN)CCN(Cc2ccccc2)CC1O.
What is the InChIKey of ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate?
The InChIKey is XOLLSWZTAYUGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-2-22-16(21)17(8-10-18)9-11-19(13-15(17)20)12-14-6-4-3-5-7-14/h3-7,15,20H,2,8-13,18H2,1H3.
What are the key properties of ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate?
ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate has a molecular weight of 306.41 g/mol, XLogP of 1.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate is sourced from PubChem (CID 86709519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).