ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

C15H21NO2 — CID 4058

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IUPACethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeyXADCESSVHJOZHK-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.21
Rot. Bonds3

About ethyl 1-methyl-4-phenylpiperidine-4-carboxylate

ethyl 1-methyl-4-phenylpiperidine-4-carboxylate (PubChem CID 4058) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is ethyl 1-methyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-4-phenylpiperidine-4-carboxylate
PubChem CID4058
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Nameethyl 1-methyl-4-phenylpiperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(C)CC1
InChIInChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3
InChIKeyXADCESSVHJOZHK-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Carbetapentane
CID 2562
Diphenoxylate
CID 13505
Adiphenine
CID 2031
Diphenoxylate Hydrochloride
CID 6432394
Meperidine Hydrochloride
CID 5750
Oxeladin
CID 4619
Proadifen Hydrochloride
CID 65341
Piperidolate
CID 4839
Aprofene
CID 71128
Tilidine
CID 30131
Piperidolate Hydrochloride
CID 8520
Proadifen
CID 4910

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-methyl-4-phenylpiperidine-4-carboxylate (CID 4058) is ethyl 1-methyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-methyl-4-phenylpiperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(C)CC1.
What is the InChIKey of ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is XADCESSVHJOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-18-14(17)15(9-11-16(2)12-10-15)13-7-5-4-6-8-13/h4-8H,3,9-12H2,1-2H3.
What are the key properties of ethyl 1-methyl-4-phenylpiperidine-4-carboxylate?
ethyl 1-methyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 247.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 4058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).