phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate

C25H25NO2 — CID 12542640

IUPACphenyl 4-(2-benzylphenyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C25H25NO2/c27-25(28-23-12-5-2-6-13-23)26-17-15-21(16-18-26)24-14-8-7-11-22(24)19-20-9-3-1-4-10-20/h1-14,21H,15-19H2
InChIKeyWBNQWWCXFQXAKV-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.66
Rot. Bonds4

About phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate

phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate (PubChem CID 12542640) has the molecular formula C25H25NO2 and a molecular weight of 371.48 g/mol. Its IUPAC name is phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-(2-benzylphenyl)piperidine-1-carboxylate
PubChem CID12542640
Molecular FormulaC25H25NO2
Molecular Weight371.48 g/mol
Exact Mass371.19
IUPAC Namephenyl 4-(2-benzylphenyl)piperidine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCC(c2ccccc2Cc2ccccc2)CC1
InChIInChI=1S/C25H25NO2/c27-25(28-23-12-5-2-6-13-23)26-17-15-21(16-18-26)24-14-8-7-11-22(24)19-20-9-3-1-4-10-20/h1-14,21H,15-19H2
InChIKeyWBNQWWCXFQXAKV-UHFFFAOYSA-N
XLogP5.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate?
The IUPAC name of phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate (CID 12542640) is phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate.
What is the SMILES notation for phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate?
The canonical SMILES for phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate is O=C(Oc1ccccc1)N1CCC(c2ccccc2Cc2ccccc2)CC1.
What is the InChIKey of phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate?
The InChIKey is WBNQWWCXFQXAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO2/c27-25(28-23-12-5-2-6-13-23)26-17-15-21(16-18-26)24-14-8-7-11-22(24)19-20-9-3-1-4-10-20/h1-14,21H,15-19H2.
What are the key properties of phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate?
phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate has a molecular weight of 371.48 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-(2-benzylphenyl)piperidine-1-carboxylate is sourced from PubChem (CID 12542640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).