tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate

C26H36N2O2 — CID 58504033

IUPACtert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H36N2O2/c1-25(2,3)30-24(29)27-19-20-15-17-28(18-16-20)26(4,5)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-14,20H,15-19H2,1-5H3,(H,27,29)
InChIKeyPNZXIXUYSLYHKO-UHFFFAOYSA-N
MW408.59 g/mol
LogP5.83
Rot. Bonds5

About tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate

tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate (PubChem CID 58504033) has the molecular formula C26H36N2O2 and a molecular weight of 408.59 g/mol. Its IUPAC name is tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate
PubChem CID58504033
Molecular FormulaC26H36N2O2
Molecular Weight408.59 g/mol
Exact Mass408.28
IUPAC Nametert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1
InChIInChI=1S/C26H36N2O2/c1-25(2,3)30-24(29)27-19-20-15-17-28(18-16-20)26(4,5)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-14,20H,15-19H2,1-5H3,(H,27,29)
InChIKeyPNZXIXUYSLYHKO-UHFFFAOYSA-N
XLogP5.83
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.59
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate (CID 58504033) is tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCN(C(C)(C)c2ccc(-c3ccccc3)cc2)CC1.
What is the InChIKey of tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate?
The InChIKey is PNZXIXUYSLYHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N2O2/c1-25(2,3)30-24(29)27-19-20-15-17-28(18-16-20)26(4,5)23-13-11-22(12-14-23)21-9-7-6-8-10-21/h6-14,20H,15-19H2,1-5H3,(H,27,29).
What are the key properties of tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate?
tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate has a molecular weight of 408.59 g/mol, XLogP of 5.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[1-[2-(4-phenylphenyl)propan-2-yl]piperidin-4-yl]methyl]carbamate is sourced from PubChem (CID 58504033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).