ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate

C24H31NO3 — CID 10407491

IUPACethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H31NO3/c1-3-28-23(26)24(14-13-20-7-5-4-6-8-20)15-17-25(18-16-24)19-21-9-11-22(27-2)12-10-21/h4-12H,3,13-19H2,1-2H3
InChIKeyWDDJONZTKHOITI-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.47
Rot. Bonds8

About ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate (PubChem CID 10407491) has the molecular formula C24H31NO3 and a molecular weight of 381.52 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
PubChem CID10407491
Molecular FormulaC24H31NO3
Molecular Weight381.52 g/mol
Exact Mass381.23
IUPAC Nameethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1
InChIInChI=1S/C24H31NO3/c1-3-28-23(26)24(14-13-20-7-5-4-6-8-20)15-17-25(18-16-24)19-21-9-11-22(27-2)12-10-21/h4-12H,3,13-19H2,1-2H3
InChIKeyWDDJONZTKHOITI-UHFFFAOYSA-N
XLogP4.47
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate (CID 10407491) is ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate is CCOC(=O)C1(CCc2ccccc2)CCN(Cc2ccc(OC)cc2)CC1.
What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
The InChIKey is WDDJONZTKHOITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO3/c1-3-28-23(26)24(14-13-20-7-5-4-6-8-20)15-17-25(18-16-24)19-21-9-11-22(27-2)12-10-21/h4-12H,3,13-19H2,1-2H3.
What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate?
ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate has a molecular weight of 381.52 g/mol, XLogP of 4.47, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxyphenyl)methyl]-4-(2-phenylethyl)piperidine-4-carboxylate is sourced from PubChem (CID 10407491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).