ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate

C17H25NO2 — CID 146401947

IUPACethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)CC1CC
InChIInChI=1S/C17H25NO2/c1-3-15-13-18(12-14-8-6-5-7-9-14)11-10-16(15)17(19)20-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3
InChIKeyRSRIGEXFZWWWKJ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.10
Rot. Bonds5

About ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate

ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate (PubChem CID 146401947) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
PubChem CID146401947
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nameethyl 1-benzyl-3-ethylpiperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2ccccc2)CC1CC
InChIInChI=1S/C17H25NO2/c1-3-15-13-18(12-14-8-6-5-7-9-14)11-10-16(15)17(19)20-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3
InChIKeyRSRIGEXFZWWWKJ-UHFFFAOYSA-N
XLogP3.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3S,4S)-3-amino-1-benzylpiperidine-4-carboxylate;dihydrochloride
CID 155921053
ethyl 1-benzyl-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 165176370
ethyl 1-benzylpyrrolidine-3-carboxylate;formonitrile
CID 143159635
ethyl 1-benzyl-4-(2-methylpropyl)pyrrolidine-3-carboxylate
CID 20662771
1-benzyl-3-ethylpiperidin-4-ol
CID 23003710
3-O-benzyl 4-O-ethyl (3S,4S)-1-benzylpyrrolidine-3,4-dicarboxylate
CID 155095649
ethyl (4R)-1-benzyl-4-methylpyrrolidine-3-carboxylate
CID 145004626
ethyl 1-benzyl-4-octylpyrrolidine-3-carboxylate
CID 118368119
ethyl (3R,4R)-1-benzyl-3-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]piperidine-4-carboxylate
CID 102513130
ethyl (3R,4S)-1-benzyl-4-phenylpyrrolidine-3-carboxylate
CID 12922289
1-benzyl-3-hydroxypiperidine-4-carboxamide
CID 146447166
ethyl 1-[(1-benzyl-4-phenylpyrrolidin-3-yl)methyl]piperidine-4-carboxylate
CID 70200252

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate (CID 146401947) is ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2ccccc2)CC1CC.
What is the InChIKey of ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate?
The InChIKey is RSRIGEXFZWWWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-15-13-18(12-14-8-6-5-7-9-14)11-10-16(15)17(19)20-4-2/h5-9,15-16H,3-4,10-13H2,1-2H3.
What are the key properties of ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate?
ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate has a molecular weight of 275.39 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-3-ethylpiperidine-4-carboxylate is sourced from PubChem (CID 146401947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).