ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate

C18H25NO2 — CID 757381

IUPACethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)=Cc2ccccc2)CC1
InChIInChI=1S/C18H25NO2/c1-3-21-18(20)17-9-11-19(12-10-17)14-15(2)13-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3
InChIKeyPPEZDYNHKILINQ-UHFFFAOYSA-N
MW287.40 g/mol
LogP3.37
Rot. Bonds5

About ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate

ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate (PubChem CID 757381) has the molecular formula C18H25NO2 and a molecular weight of 287.40 g/mol. Its IUPAC name is ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
PubChem CID757381
Molecular FormulaC18H25NO2
Molecular Weight287.40 g/mol
Exact Mass287.19
IUPAC Nameethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CC(C)=Cc2ccccc2)CC1
InChIInChI=1S/C18H25NO2/c1-3-21-18(20)17-9-11-19(12-10-17)14-15(2)13-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3
InChIKeyPPEZDYNHKILINQ-UHFFFAOYSA-N
XLogP3.37
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 90944118
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CID 8931140
1-[(1S,5S)-3-[(E)-2-methyl-3-phenylprop-2-enyl]-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one
CID 98178070
ethyl 1-(2-anilinoethyl)piperidine-4-carboxylate
CID 71035315
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CID 2903787
ethyl 1-[2-[methyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxylate
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ethyl 1-ethylpiperidine-4-carboxylate
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CID 669998
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CID 78791788
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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate (CID 757381) is ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(CC(C)=Cc2ccccc2)CC1.
What is the InChIKey of ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate?
The InChIKey is PPEZDYNHKILINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO2/c1-3-21-18(20)17-9-11-19(12-10-17)14-15(2)13-16-7-5-4-6-8-16/h4-8,13,17H,3,9-12,14H2,1-2H3.
What are the key properties of ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate?
ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate has a molecular weight of 287.40 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methyl-3-phenylprop-2-enyl)piperidine-4-carboxylate is sourced from PubChem (CID 757381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).