(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate

C13H17FN2O2 — CID 5112796

IUPAC(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
SMILESCN1CCC(OC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-16-8-6-12(7-9-16)18-13(17)15-11-4-2-10(14)3-5-11/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyGYCYARKRWFZLJQ-UHFFFAOYSA-N
MW252.29 g/mol
LogP2.47
Rot. Bonds2

About (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate

(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate (PubChem CID 5112796) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
PubChem CID5112796
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate
SMILESCN1CCC(OC(=O)Nc2ccc(F)cc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-16-8-6-12(7-9-16)18-13(17)15-11-4-2-10(14)3-5-11/h2-5,12H,6-9H2,1H3,(H,15,17)
InChIKeyGYCYARKRWFZLJQ-UHFFFAOYSA-N
XLogP2.47
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)cyclobutyl] N-(4-fluorophenyl)carbamate
CID 79345354
1-[2-(4-fluorophenoxy)ethyl]-3-[4-(1-methylpiperidin-4-yl)oxyphenyl]urea
CID 72924084
(1-methylpiperidin-4-yl) N-(2-methylpyrimidin-4-yl)carbamate
CID 178146899
(1-methylpiperidin-4-yl) N-(2-phenylphenyl)carbamate
CID 53318454
(2-aminocyclopentyl) N-(4-fluorophenyl)carbamate
CID 113395530
(4-fluorophenyl)-[4-(1-methylpiperidin-4-yl)oxypiperidin-1-yl]methanone
CID 91916416
bis(1-methylpiperidin-4-yl) carbonate;hydrochloride
CID 175100790
cyclobutyl N-(4-aminophenyl)carbamate
CID 62139706
[(1R,3S)-3-(cyclobutanecarbonylamino)cyclohexyl] N-(4-fluorophenyl)carbamate
CID 95985844
4-[1-(4-fluorophenoxy)ethenoxy]-1-methylpiperidine
CID 122542342
(1-methylpiperidin-4-yl) N-[3-[[3-(3,5-difluorophenyl)-6-oxopyridazin-1-yl]methyl]phenyl]carbamate;hydrochloride
CID 140580212
N-[4-(1-methylpiperidin-4-yl)oxyphenyl]azetidine-2-carboxamide
CID 131934085

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate?
The IUPAC name of (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate (CID 5112796) is (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate.
What is the SMILES notation for (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate?
The canonical SMILES for (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate is CN1CCC(OC(=O)Nc2ccc(F)cc2)CC1.
What is the InChIKey of (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate?
The InChIKey is GYCYARKRWFZLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-16-8-6-12(7-9-16)18-13(17)15-11-4-2-10(14)3-5-11/h2-5,12H,6-9H2,1H3,(H,15,17).
What are the key properties of (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate?
(1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate has a molecular weight of 252.29 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl) N-(4-fluorophenyl)carbamate is sourced from PubChem (CID 5112796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).