(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate

C23H30N2O2 — CID 162674122

IUPAC(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-8-10-22(11-9-21)24-23(26)27-17-20-12-14-25(15-13-20)16-19-6-4-3-5-7-19/h3-11,18,20H,12-17H2,1-2H3,(H,24,26)
InChIKeyWSZHWBCEOHXGOF-UHFFFAOYSA-N
MW366.51 g/mol
LogP5.27
Rot. Bonds6

About (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate

(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate (PubChem CID 162674122) has the molecular formula C23H30N2O2 and a molecular weight of 366.51 g/mol. Its IUPAC name is (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate.

Molecular Properties

Compound Name(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate
PubChem CID162674122
Molecular FormulaC23H30N2O2
Molecular Weight366.51 g/mol
Exact Mass366.23
IUPAC Name(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate
SMILESCC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O2/c1-18(2)21-8-10-22(11-9-21)24-23(26)27-17-20-12-14-25(15-13-20)16-19-6-4-3-5-7-19/h3-11,18,20H,12-17H2,1-2H3,(H,24,26)
InChIKeyWSZHWBCEOHXGOF-UHFFFAOYSA-N
XLogP5.27
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.51
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The IUPAC name of (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate (CID 162674122) is (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate.
What is the SMILES notation for (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The canonical SMILES for (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate is CC(C)c1ccc(NC(=O)OCC2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
The InChIKey is WSZHWBCEOHXGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O2/c1-18(2)21-8-10-22(11-9-21)24-23(26)27-17-20-12-14-25(15-13-20)16-19-6-4-3-5-7-19/h3-11,18,20H,12-17H2,1-2H3,(H,24,26).
What are the key properties of (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate?
(1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate has a molecular weight of 366.51 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzylpiperidin-4-yl)methyl N-(4-propan-2-ylphenyl)carbamate is sourced from PubChem (CID 162674122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).