ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate

C21H25NO3 — CID 12542659

IUPACethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OCc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-24-20(23)22-15-13-21(14-16-22,19-11-7-4-8-12-19)25-17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyPMFVLVCDVHFATM-UHFFFAOYSA-N
MW339.44 g/mol
LogP4.35
Rot. Bonds5

About ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate

ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate (PubChem CID 12542659) has the molecular formula C21H25NO3 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate
PubChem CID12542659
Molecular FormulaC21H25NO3
Molecular Weight339.44 g/mol
Exact Mass339.18
IUPAC Nameethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(OCc2ccccc2)(c2ccccc2)CC1
InChIInChI=1S/C21H25NO3/c1-2-24-20(23)22-15-13-21(14-16-22,19-11-7-4-8-12-19)25-17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3
InChIKeyPMFVLVCDVHFATM-UHFFFAOYSA-N
XLogP4.35
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate?
The IUPAC name of ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate (CID 12542659) is ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate is CCOC(=O)N1CCC(OCc2ccccc2)(c2ccccc2)CC1.
What is the InChIKey of ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate?
The InChIKey is PMFVLVCDVHFATM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO3/c1-2-24-20(23)22-15-13-21(14-16-22,19-11-7-4-8-12-19)25-17-18-9-5-3-6-10-18/h3-12H,2,13-17H2,1H3.
What are the key properties of ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate?
ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-4-phenylmethoxypiperidine-1-carboxylate is sourced from PubChem (CID 12542659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).