ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate

C24H27N3O3 — CID 10201299

IUPACethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-30-23(29)26-15-12-24(13-16-26,20-6-4-3-5-7-20)22-25-14-17-27(22)18-19-8-10-21(28)11-9-19/h3-11,14,17,28H,2,12-13,15-16,18H2,1H3
InChIKeyKPOBZMXBVODHGB-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.18
Rot. Bonds5

About ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate

ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate (PubChem CID 10201299) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate
PubChem CID10201299
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC Nameethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1
InChIInChI=1S/C24H27N3O3/c1-2-30-23(29)26-15-12-24(13-16-26,20-6-4-3-5-7-20)22-25-14-17-27(22)18-19-8-10-21(28)11-9-19/h3-11,14,17,28H,2,12-13,15-16,18H2,1H3
InChIKeyKPOBZMXBVODHGB-UHFFFAOYSA-N
XLogP4.18
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate?
The IUPAC name of ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate (CID 10201299) is ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate is CCOC(=O)N1CCC(c2ccccc2)(c2nccn2Cc2ccc(O)cc2)CC1.
What is the InChIKey of ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate?
The InChIKey is KPOBZMXBVODHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-2-30-23(29)26-15-12-24(13-16-26,20-6-4-3-5-7-20)22-25-14-17-27(22)18-19-8-10-21(28)11-9-19/h3-11,14,17,28H,2,12-13,15-16,18H2,1H3.
What are the key properties of ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate?
ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate has a molecular weight of 405.50 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-[(4-hydroxyphenyl)methyl]imidazol-2-yl]-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 10201299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).