ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate

C20H29NO2 — CID 26333828

IUPACethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(C2CCC2)CC1
InChIInChI=1S/C20H29NO2/c1-2-23-19(22)20(12-11-17-7-4-3-5-8-17)13-15-21(16-14-20)18-9-6-10-18/h3-5,7-8,18H,2,6,9-16H2,1H3
InChIKeyCRCDEYISWJFNPA-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.82
Rot. Bonds6

About ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate

ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 26333828) has the molecular formula C20H29NO2 and a molecular weight of 315.46 g/mol. Its IUPAC name is ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID26333828
Molecular FormulaC20H29NO2
Molecular Weight315.46 g/mol
Exact Mass315.22
IUPAC Nameethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(C2CCC2)CC1
InChIInChI=1S/C20H29NO2/c1-2-23-19(22)20(12-11-17-7-4-3-5-8-17)13-15-21(16-14-20)18-9-6-10-18/h3-5,7-8,18H,2,6,9-16H2,1H3
InChIKeyCRCDEYISWJFNPA-UHFFFAOYSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-(3-phenylpropyl)-1-[(3R)-thiolan-3-yl]piperidine-4-carboxylate
CID 25386680
ethyl 1-(oxan-4-yl)-4-(2-phenoxyethyl)piperidine-4-carboxylate
CID 42120534
ethyl 1-(oxolane-3-carbonyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 45190006
ethyl 1-(naphthalen-2-ylmethyl)-4-(2-phenylethyl)piperidine-4-carboxylate
CID 10024006
ethyl 1-[(4-methoxycarbonylphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 23724015
ethyl 4-(2-phenylethyl)-1-[(2S)-1-pyridin-3-ylpropan-2-yl]piperidine-4-carboxylate
CID 31134180
ethyl 4-(3-phenylpropyl)-1-[(3S)-1-propan-2-ylpiperidine-3-carbonyl]piperidine-4-carboxylate
CID 25487830
ethyl 1-(cyclohex-3-ene-1-carbonyl)-4-(3-phenylpropyl)piperidine-4-carboxylate
CID 45238431
ethyl (3S)-1-cyclobutyl-3-[(E)-3-phenylprop-2-enyl]piperidine-3-carboxylate
CID 25453067
ethyl 1-[(5-methyl-1-propylpyrazol-4-yl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
CID 42286901
ethyl (3S)-3-benzyl-1-(1-propylpiperidin-4-yl)piperidine-3-carboxylate
CID 28732842
ethyl 1-[2-(4-iodophenyl)ethyl]cyclohexane-1-carboxylate
CID 147282892

Frequently Asked Questions

What is the IUPAC name of ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate (CID 26333828) is ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN(C2CCC2)CC1.
What is the InChIKey of ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is CRCDEYISWJFNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29NO2/c1-2-23-19(22)20(12-11-17-7-4-3-5-8-17)13-15-21(16-14-20)18-9-6-10-18/h3-5,7-8,18H,2,6,9-16H2,1H3.
What are the key properties of ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 315.46 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-cyclobutyl-4-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 26333828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).