2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate

C26H34N2O2 — CID 135374995

IUPAC2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate
SMILESO=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(28-18-13-25(14-19-28)24-9-5-2-6-10-24)30-20-15-22-11-16-27(17-12-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2
InChIKeyHLLOFFQTBIPVPD-UHFFFAOYSA-N
MW406.57 g/mol
LogP5.30
Rot. Bonds6

About 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate

2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate (PubChem CID 135374995) has the molecular formula C26H34N2O2 and a molecular weight of 406.57 g/mol. Its IUPAC name is 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Name2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate
PubChem CID135374995
Molecular FormulaC26H34N2O2
Molecular Weight406.57 g/mol
Exact Mass406.26
IUPAC Name2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate
SMILESO=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1
InChIInChI=1S/C26H34N2O2/c29-26(28-18-13-25(14-19-28)24-9-5-2-6-10-24)30-20-15-22-11-16-27(17-12-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2
InChIKeyHLLOFFQTBIPVPD-UHFFFAOYSA-N
XLogP5.30
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.57
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate?
The IUPAC name of 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate (CID 135374995) is 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate?
The canonical SMILES for 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate is O=C(OCCC1CCN(Cc2ccccc2)CC1)N1CCC(c2ccccc2)CC1.
What is the InChIKey of 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate?
The InChIKey is HLLOFFQTBIPVPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N2O2/c29-26(28-18-13-25(14-19-28)24-9-5-2-6-10-24)30-20-15-22-11-16-27(17-12-22)21-23-7-3-1-4-8-23/h1-10,22,25H,11-21H2.
What are the key properties of 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate?
2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate has a molecular weight of 406.57 g/mol, XLogP of 5.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzylpiperidin-4-yl)ethyl 4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 135374995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).