tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate

C17H26N2O2 — CID 138991024

IUPACtert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-6-4-5-7-15(14)13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyBFTIREQIQMGVCP-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.18
Rot. Bonds3

About tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate

tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate (PubChem CID 138991024) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate
PubChem CID138991024
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nametert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate
SMILESCC(C)(C)OC(=O)NCc1ccccc1C1CCNCC1
InChIInChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-6-4-5-7-15(14)13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20)
InChIKeyBFTIREQIQMGVCP-UHFFFAOYSA-N
XLogP3.18
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate (CID 138991024) is tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate is CC(C)(C)OC(=O)NCc1ccccc1C1CCNCC1.
What is the InChIKey of tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate?
The InChIKey is BFTIREQIQMGVCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-17(2,3)21-16(20)19-12-14-6-4-5-7-15(14)13-8-10-18-11-9-13/h4-7,13,18H,8-12H2,1-3H3,(H,19,20).
What are the key properties of tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate?
tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate has a molecular weight of 290.41 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(2-piperidin-4-ylphenyl)methyl]carbamate is sourced from PubChem (CID 138991024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).