ethyl 1-butyl-4-phenylpiperidine-4-carboxylate

C18H27NO2 — CID 23275699

IUPACethyl 1-butyl-4-phenylpiperidine-4-carboxylate
SMILESCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-5-13-19-14-11-18(12-15-19,17(20)21-4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3
InChIKeyOIPRXRRVWUUDEU-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.38
Rot. Bonds6

About ethyl 1-butyl-4-phenylpiperidine-4-carboxylate

ethyl 1-butyl-4-phenylpiperidine-4-carboxylate (PubChem CID 23275699) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is ethyl 1-butyl-4-phenylpiperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-butyl-4-phenylpiperidine-4-carboxylate
PubChem CID23275699
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Nameethyl 1-butyl-4-phenylpiperidine-4-carboxylate
SMILESCCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1
InChIInChI=1S/C18H27NO2/c1-3-5-13-19-14-11-18(12-15-19,17(20)21-4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3
InChIKeyOIPRXRRVWUUDEU-UHFFFAOYSA-N
XLogP3.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-butyl-4-phenylpiperidine-4-carboxylate?
The IUPAC name of ethyl 1-butyl-4-phenylpiperidine-4-carboxylate (CID 23275699) is ethyl 1-butyl-4-phenylpiperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-butyl-4-phenylpiperidine-4-carboxylate?
The canonical SMILES for ethyl 1-butyl-4-phenylpiperidine-4-carboxylate is CCCCN1CCC(C(=O)OCC)(c2ccccc2)CC1.
What is the InChIKey of ethyl 1-butyl-4-phenylpiperidine-4-carboxylate?
The InChIKey is OIPRXRRVWUUDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-3-5-13-19-14-11-18(12-15-19,17(20)21-4-2)16-9-7-6-8-10-16/h6-10H,3-5,11-15H2,1-2H3.
What are the key properties of ethyl 1-butyl-4-phenylpiperidine-4-carboxylate?
ethyl 1-butyl-4-phenylpiperidine-4-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-butyl-4-phenylpiperidine-4-carboxylate is sourced from PubChem (CID 23275699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).