N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

C15H21BrN2O2 — CID 110892772

IUPACN-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-13(16)7-11(2)14(10)17-15(20)18-5-3-4-12(8-18)9-19/h6-7,12,19H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeySDOQPMRZWCYADH-UHFFFAOYSA-N
MW341.25 g/mol
LogP3.30
Rot. Bonds2

About N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide

N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 110892772) has the molecular formula C15H21BrN2O2 and a molecular weight of 341.25 g/mol. Its IUPAC name is N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID110892772
Molecular FormulaC15H21BrN2O2
Molecular Weight341.25 g/mol
Exact Mass340.08
IUPAC NameN-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1cc(Br)cc(C)c1NC(=O)N1CCCC(CO)C1
InChIInChI=1S/C15H21BrN2O2/c1-10-6-13(16)7-11(2)14(10)17-15(20)18-5-3-4-12(8-18)9-19/h6-7,12,19H,3-5,8-9H2,1-2H3,(H,17,20)
InChIKeySDOQPMRZWCYADH-UHFFFAOYSA-N
XLogP3.30
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.25
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2,6-dimethylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47223501
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 43318320
N-(4-bromo-2,6-dimethylphenyl)azepane-1-carboxamide
CID 47223457
N-(2,5-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 84528566
1-[(4-bromo-2,6-dimethylphenyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 63030508
N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 71875026
(3R)-N-(6-chloro-8-methylquinolin-5-yl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96504613
(3R)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530938
(3S)-N-(3-bromo-4-methoxyphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 96530937
N-(4-bromo-2,6-dimethylphenyl)-2-cyclobutylacetamide
CID 103714250
2-[3-(hydroxymethyl)pyrrolidin-1-yl]-2-oxo-N-(2,4,6-trimethylphenyl)acetamide
CID 111798574
(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)piperidine-1-carboxamide
CID 9120034

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide (CID 110892772) is N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is Cc1cc(Br)cc(C)c1NC(=O)N1CCCC(CO)C1.
What is the InChIKey of N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is SDOQPMRZWCYADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O2/c1-10-6-13(16)7-11(2)14(10)17-15(20)18-5-3-4-12(8-18)9-19/h6-7,12,19H,3-5,8-9H2,1-2H3,(H,17,20).
What are the key properties of N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide?
N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 341.25 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2,6-dimethylphenyl)-3-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 110892772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).