[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate

C26H28N2O2 — CID 69028746

IUPAC[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)c1ccccc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c27-26(29)30-25(22-11-5-2-6-12-22)24-14-8-7-13-23(24)21-15-17-28(18-16-21)19-20-9-3-1-4-10-20/h1-14,21,25H,15-19H2,(H2,27,29)
InChIKeyNTEAVTKGQIFHEA-UHFFFAOYSA-N
MW400.52 g/mol
LogP5.25
Rot. Bonds6

About [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate

[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate (PubChem CID 69028746) has the molecular formula C26H28N2O2 and a molecular weight of 400.52 g/mol. Its IUPAC name is [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate.

Molecular Properties

Compound Name[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
PubChem CID69028746
Molecular FormulaC26H28N2O2
Molecular Weight400.52 g/mol
Exact Mass400.22
IUPAC Name[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate
SMILESNC(=O)OC(c1ccccc1)c1ccccc1C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C26H28N2O2/c27-26(29)30-25(22-11-5-2-6-12-22)24-14-8-7-13-23(24)21-15-17-28(18-16-21)19-20-9-3-1-4-10-20/h1-14,21,25H,15-19H2,(H2,27,29)
InChIKeyNTEAVTKGQIFHEA-UHFFFAOYSA-N
XLogP5.25
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(1-benzylpiperidin-4-yl)-2-nitrophenyl]acetamide
CID 142777077
4-(1-benzylpiperidin-4-yl)benzoic acid
CID 125492559
2-(1-benzylpiperidin-4-yl)-2-fluoroacetic acid
CID 81357739
propan-2-yl 1-benzylpiperidine-4-carboxylate
CID 83983156
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
[2-(1-benzylpyrrolidin-3-yl)phenyl]methanamine
CID 19959051
3-(1-benzylpiperidin-4-yl)oxypropanamide
CID 2779233
(2R)-N-(1-benzylpiperidin-4-yl)-2-hydroxy-2-phenylacetamide
CID 118541642
1-benzylpiperidine-4-carbonyl chloride
CID 18919767
1-benzyl-4-(2-propylphenyl)piperidine
CID 143140323
propan-2-yl 2-(1-benzylpiperidin-4-yl)acetate
CID 83983157
(1-benzyl-4-cyclopropylpiperidin-4-yl)methyl carbamate
CID 175201473

Frequently Asked Questions

What is the IUPAC name of [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate?
The IUPAC name of [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate (CID 69028746) is [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate.
What is the SMILES notation for [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate?
The canonical SMILES for [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate is NC(=O)OC(c1ccccc1)c1ccccc1C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate?
The InChIKey is NTEAVTKGQIFHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O2/c27-26(29)30-25(22-11-5-2-6-12-22)24-14-8-7-13-23(24)21-15-17-28(18-16-21)19-20-9-3-1-4-10-20/h1-14,21,25H,15-19H2,(H2,27,29).
What are the key properties of [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate?
[[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate has a molecular weight of 400.52 g/mol, XLogP of 5.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[2-(1-benzylpiperidin-4-yl)phenyl]-phenylmethyl] carbamate is sourced from PubChem (CID 69028746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).