ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate

C21H31NO2 — CID 177342640

IUPACethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C2CCCCC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c1-2-24-20(23)21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3,5-6,9-10,19H,2,4,7-8,11-17H2,1H3
InChIKeyILXLTXAQDPYLQJ-UHFFFAOYSA-N
MW329.48 g/mol
LogP4.41
Rot. Bonds5

About ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate

ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate (PubChem CID 177342640) has the molecular formula C21H31NO2 and a molecular weight of 329.48 g/mol. Its IUPAC name is ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
PubChem CID177342640
Molecular FormulaC21H31NO2
Molecular Weight329.48 g/mol
Exact Mass329.24
IUPAC Nameethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(C2CCCCC2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C21H31NO2/c1-2-24-20(23)21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3,5-6,9-10,19H,2,4,7-8,11-17H2,1H3
InChIKeyILXLTXAQDPYLQJ-UHFFFAOYSA-N
XLogP4.41
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.48
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3aR)-1-benzyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-3a-carboxylate
CID 146158159
ethyl 1-benzyl-4-ethylsulfonylpiperidine-4-carboxylate
CID 99997104
ethyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 59511336
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
ethyl 4-benzamido-1-benzylpiperidine-4-carboxylate
CID 3044661
ethyl 1-benzyl-3-(fluoromethyl)pyrrolidine-3-carboxylate
CID 54443836
ethyl (4R)-1-benzyl-4-bromo-3-oxopiperidine-4-carboxylate
CID 95731690
ethyl 4-(2-aminoethyl)-1-benzyl-3-hydroxypiperidine-4-carboxylate
CID 86709519
1-benzyl-4-ethoxypiperidine-4-carboxylic acid
CID 84711075
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473
ethyl 2-[4-benzyl-7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate
CID 14031656

Frequently Asked Questions

What is the IUPAC name of ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate (CID 177342640) is ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate is CCOC(=O)C1(C2CCCCC2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate?
The InChIKey is ILXLTXAQDPYLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31NO2/c1-2-24-20(23)21(19-11-7-4-8-12-19)13-15-22(16-14-21)17-18-9-5-3-6-10-18/h3,5-6,9-10,19H,2,4,7-8,11-17H2,1H3.
What are the key properties of ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate?
ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate has a molecular weight of 329.48 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-benzyl-4-cyclohexylpiperidine-4-carboxylate is sourced from PubChem (CID 177342640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).