1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide

C14H19FN2O2 — CID 63371325

IUPAC1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1
InChIKeyVGRNPQQZBQDCGD-CGCSKFHYSA-N
MW266.32 g/mol
LogP1.72
Rot. Bonds3

About 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide

1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide (PubChem CID 63371325) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
PubChem CID63371325
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
SMILESC[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(F)c1
InChIInChI=1S/C14H19FN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1
InChIKeyVGRNPQQZBQDCGD-CGCSKFHYSA-N
XLogP1.72
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

1-[2-bromo-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide
CID 78940404
(1S)-1-[3-fluoro-4-[2-(hydroxymethyl)piperidin-1-yl]phenyl]ethanol
CID 78939949
1-(4-amino-2-fluorophenyl)pyrrolidine-2-carboxamide
CID 43123585
3-[4-(2-carbamoylpiperidin-1-yl)-3-fluorophenyl]prop-2-enoic acid
CID 76910209
1-[2-chloro-4-[(1R)-1-hydroxyethyl]phenyl]-N-methylpiperidine-2-carboxamide
CID 63371196
(1S)-1-[3-fluoro-4-(3-methyl-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)phenyl]ethanol
CID 79921453
1-[4-(1-aminoethyl)-2-fluorophenyl]piperidine-4-carboxamide
CID 43188807
1-(4-carbamoyl-2-fluorophenyl)piperidine-2-carboxylic acid
CID 43656956
1-(2-amino-5-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 116735707
(1S)-1-[4-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-3-fluorophenyl]ethanol
CID 79934840
1-(4-amino-2,6-difluorophenyl)piperidine-2-carboxamide
CID 54985308
1-[2-fluoro-4-(1-hydroxyethyl)phenyl]piperidin-4-ol
CID 43506027

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The IUPAC name of 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide (CID 63371325) is 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide.
What is the SMILES notation for 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The canonical SMILES for 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide is C[C@@H](O)c1ccc(N2CCCCC2C(N)=O)c(F)c1.
What is the InChIKey of 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
The InChIKey is VGRNPQQZBQDCGD-CGCSKFHYSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-9(18)10-5-6-12(11(15)8-10)17-7-3-2-4-13(17)14(16)19/h5-6,8-9,13,18H,2-4,7H2,1H3,(H2,16,19)/t9-,13?/m1/s1.
What are the key properties of 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide?
1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide has a molecular weight of 266.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-[(1R)-1-hydroxyethyl]phenyl]piperidine-2-carboxamide is sourced from PubChem (CID 63371325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).