N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

C14H18BrFN2O2 — CID 111475420

IUPACN-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H18BrFN2O2/c1-9(19)10-4-6-18(7-5-10)14(20)17-11-2-3-12(15)13(16)8-11/h2-3,8-10,19H,4-7H2,1H3,(H,17,20)
InChIKeySAHSMGITRHHPCT-UHFFFAOYSA-N
MW345.21 g/mol
LogP3.21
Rot. Bonds2

About N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide

N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 111475420) has the molecular formula C14H18BrFN2O2 and a molecular weight of 345.21 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID111475420
Molecular FormulaC14H18BrFN2O2
Molecular Weight345.21 g/mol
Exact Mass344.05
IUPAC NameN-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
SMILESCC(O)C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1
InChIInChI=1S/C14H18BrFN2O2/c1-9(19)10-4-6-18(7-5-10)14(20)17-11-2-3-12(15)13(16)8-11/h2-3,8-10,19H,4-7H2,1H3,(H,17,20)
InChIKeySAHSMGITRHHPCT-UHFFFAOYSA-N
XLogP3.21
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.21
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-3-methylphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111112986
N-(4-bromo-3-fluorophenyl)-4-methoxypiperidine-1-carboxamide
CID 171854822
N-(4-bromo-3-fluorophenyl)-4-(trifluoromethyl)piperidine-1-carboxamide
CID 171854816
N-(4-bromo-3-fluorophenyl)-4,4-difluoropiperidine-1-carboxamide
CID 171854817
N-(4-bromo-3-fluorophenyl)-3-methylpiperazine-1-carboxamide;hydrochloride
CID 171854826
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 95312643
N-(3-chlorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 103655893
N-(4-bromo-3-fluorophenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171854841
N-(4-bromo-3-fluorophenyl)-7-azabicyclo[2.2.1]heptane-7-carboxamide
CID 166231417
4-[(1R)-1-hydroxyethyl]-N-(3-methyl-4-nitrophenyl)piperidine-1-carboxamide
CID 99777913
N-(2-fluoro-4-propan-2-yloxyphenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111113108
N-[3-(aminomethyl)phenyl]-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 106836739

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide (CID 111475420) is N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is CC(O)C1CCN(C(=O)Nc2ccc(Br)c(F)c2)CC1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is SAHSMGITRHHPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrFN2O2/c1-9(19)10-4-6-18(7-5-10)14(20)17-11-2-3-12(15)13(16)8-11/h2-3,8-10,19H,4-7H2,1H3,(H,17,20).
What are the key properties of N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide?
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 345.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 111475420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).