ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate

C23H29NO2 — CID 18956195

IUPACethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-26-22(25)23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3
InChIKeyJIUNTGIKLXHBHH-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.22
Rot. Bonds7

About ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate

ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate (PubChem CID 18956195) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
PubChem CID18956195
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Nameethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C23H29NO2/c1-2-26-22(25)23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3
InChIKeyJIUNTGIKLXHBHH-UHFFFAOYSA-N
XLogP4.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate (CID 18956195) is ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate is CCOC(=O)C1(c2ccccc2)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate?
The InChIKey is JIUNTGIKLXHBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO2/c1-2-26-22(25)23(21-13-7-4-8-14-21)15-18-24(19-16-23)17-9-12-20-10-5-3-6-11-20/h3-8,10-11,13-14H,2,9,12,15-19H2,1H3.
What are the key properties of ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate?
ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate has a molecular weight of 351.49 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-phenyl-1-(3-phenylpropyl)piperidine-4-carboxylate is sourced from PubChem (CID 18956195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).