1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide

C13H17BrN2O2 — CID 114061383

IUPAC1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccc(Br)cc1CO
InChIInChI=1S/C13H17BrN2O2/c14-10-4-5-11(9(7-10)8-17)16-6-2-1-3-12(16)13(15)18/h4-5,7,12,17H,1-3,6,8H2,(H2,15,18)
InChIKeyOXGQORMKEHODHT-UHFFFAOYSA-N
MW313.19 g/mol
LogP1.79
Rot. Bonds3

About 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide

1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide (PubChem CID 114061383) has the molecular formula C13H17BrN2O2 and a molecular weight of 313.19 g/mol. Its IUPAC name is 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
PubChem CID114061383
Molecular FormulaC13H17BrN2O2
Molecular Weight313.19 g/mol
Exact Mass312.05
IUPAC Name1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide
SMILESNC(=O)C1CCCCN1c1ccc(Br)cc1CO
InChIInChI=1S/C13H17BrN2O2/c14-10-4-5-11(9(7-10)8-17)16-6-2-1-3-12(16)13(15)18/h4-5,7,12,17H,1-3,6,8H2,(H2,15,18)
InChIKeyOXGQORMKEHODHT-UHFFFAOYSA-N
XLogP1.79
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.19
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(hydroxymethyl)phenyl]pyrrolidine-2-carboxamide
CID 43121111
1-[4-(hydroxymethyl)-3-methylphenyl]piperidine-2-carboxamide
CID 55039017
1-[2-(aminomethyl)-4-methylphenyl]pyrrolidine-2-carboxamide
CID 114016618
3-[1-[4-bromo-2-(hydroxymethyl)phenyl]pyrrolidin-2-yl]propan-1-ol
CID 114061400
1-[2-(aminomethyl)-4-chlorophenyl]pyrrolidine-2-carboxamide
CID 62493299
1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 78940404
1-(4-amino-2-cyanophenyl)piperidine-2-carboxamide
CID 54985357
ethyl 1-(4-bromo-2-carbamothioylphenyl)piperidine-2-carboxylate
CID 114891388
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 116735707
1-(5-amino-2-methylphenyl)piperidine-2-carboxamide
CID 55091464
1-[2-(aminomethyl)-5-methoxyphenyl]piperidine-2-carboxamide
CID 81299079
1-(4-carbamothioyl-2-chlorophenyl)piperidine-2-carboxamide
CID 55180077

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide (CID 114061383) is 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide is NC(=O)C1CCCCN1c1ccc(Br)cc1CO.
What is the InChIKey of 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide?
The InChIKey is OXGQORMKEHODHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O2/c14-10-4-5-11(9(7-10)8-17)16-6-2-1-3-12(16)13(15)18/h4-5,7,12,17H,1-3,6,8H2,(H2,15,18).
What are the key properties of 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide?
1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide has a molecular weight of 313.19 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-2-(hydroxymethyl)phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 114061383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).