(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate

C13H17BrN2O2 — CID 70948152

IUPAC(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate
SMILESCN1CCCCC1OC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-16-8-3-2-7-12(16)18-13(17)15-11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyQJQMWWGSBRQNHF-UHFFFAOYSA-N
MW313.19 g/mol
LogP3.44
Rot. Bonds2

About (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate

(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate (PubChem CID 70948152) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate
PubChem CID70948152
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate
SMILESCN1CCCCC1OC(=O)Nc1cccc(Br)c1
InChIInChI=1S/C13H17BrN2O2/c1-16-8-3-2-7-12(16)18-13(17)15-11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3,(H,15,17)
InChIKeyQJQMWWGSBRQNHF-UHFFFAOYSA-N
XLogP3.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate?
The IUPAC name of (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate (CID 70948152) is (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate.
What is the SMILES notation for (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate?
The canonical SMILES for (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate is CN1CCCCC1OC(=O)Nc1cccc(Br)c1.
What is the InChIKey of (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate?
The InChIKey is QJQMWWGSBRQNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c1-16-8-3-2-7-12(16)18-13(17)15-11-6-4-5-10(14)9-11/h4-6,9,12H,2-3,7-8H2,1H3,(H,15,17).
What are the key properties of (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate?
(1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate has a molecular weight of 313.19 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-2-yl) N-(3-bromophenyl)carbamate is sourced from PubChem (CID 70948152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).