ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate

C15H21NO3 — CID 3019411

IUPACethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-3-19-14(17)16-10-8-15(18,9-11-16)13-6-4-12(2)5-7-13/h4-7,18H,3,8-11H2,1-2H3
InChIKeyWEOTZCSUBYPPFJ-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.43
Rot. Bonds2

About ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate

ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate (PubChem CID 3019411) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
PubChem CID3019411
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Nameethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(O)(c2ccc(C)cc2)CC1
InChIInChI=1S/C15H21NO3/c1-3-19-14(17)16-10-8-15(18,9-11-16)13-6-4-12(2)5-7-13/h4-7,18H,3,8-11H2,1-2H3
InChIKeyWEOTZCSUBYPPFJ-UHFFFAOYSA-N
XLogP2.43
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate?
The IUPAC name of ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate (CID 3019411) is ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate is CCOC(=O)N1CCC(O)(c2ccc(C)cc2)CC1.
What is the InChIKey of ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate?
The InChIKey is WEOTZCSUBYPPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-3-19-14(17)16-10-8-15(18,9-11-16)13-6-4-12(2)5-7-13/h4-7,18H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate?
ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-hydroxy-4-(4-methylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 3019411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).