(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid

C13H17FN2O2 — CID 66853345

IUPAC(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid
SMILESCN1CCC[C@@H](N(C(=O)O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c1-15-8-2-3-12(9-15)16(13(17)18)11-6-4-10(14)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyWARKLISCCSHARC-GFCCVEGCSA-N
MW252.29 g/mol
LogP2.40
Rot. Bonds2

About (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid

(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid (PubChem CID 66853345) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid.

Molecular Properties

Compound Name(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid
PubChem CID66853345
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid
SMILESCN1CCC[C@@H](N(C(=O)O)c2ccc(F)cc2)C1
InChIInChI=1S/C13H17FN2O2/c1-15-8-2-3-12(9-15)16(13(17)18)11-6-4-10(14)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)/t12-/m1/s1
InChIKeyWARKLISCCSHARC-GFCCVEGCSA-N
XLogP2.40
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R)-1-methylpiperidin-3-yl] 4-fluorobenzoate
CID 844358
(2R)-1-acetyl-N-cyclobutyl-N-(4-fluorophenyl)pyrrolidine-2-carboxamide
CID 166281403
1-(2,5-difluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]ethanone
CID 62547329
N-cyclohexyl-N-(4-fluorophenyl)ethanethioamide
CID 142662405
1-methyl-1-(1-methylpiperidin-3-yl)urea
CID 62546065
4-bromo-3-fluoro-N-methyl-N-(1-methylpiperidin-3-yl)benzamide
CID 62546980
[(3S)-1-methylpiperidin-3-yl] 2-(4-fluorophenoxy)acetate
CID 769252
2-bromo-N,2-dimethyl-N-(1-methylpiperidin-3-yl)propanamide
CID 114328609
2-[methyl-(1-methylpiperidin-3-yl)sulfamoyl]acetic acid
CID 62546054
N-[2-(chloromethyl)-4-fluorophenyl]-N,1-dimethylpiperidin-3-amine
CID 62546260
N-(4-aminophenyl)-N-methyl-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62545498
N-(2-amino-4-fluorophenyl)-2-[methyl-(1-methylpiperidin-3-yl)amino]acetamide
CID 62547972

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid?
The IUPAC name of (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid (CID 66853345) is (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid.
What is the SMILES notation for (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid?
The canonical SMILES for (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid is CN1CCC[C@@H](N(C(=O)O)c2ccc(F)cc2)C1.
What is the InChIKey of (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid?
The InChIKey is WARKLISCCSHARC-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-15-8-2-3-12(9-15)16(13(17)18)11-6-4-10(14)5-7-11/h4-7,12H,2-3,8-9H2,1H3,(H,17,18)/t12-/m1/s1.
What are the key properties of (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid?
(4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid has a molecular weight of 252.29 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[(3R)-1-methylpiperidin-3-yl]carbamic acid is sourced from PubChem (CID 66853345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).