benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate

C20H22F2N2O2 — CID 25223284

IUPACbenzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
SMILESCN1CCC(c2ccc(NC(=O)OCc3ccccc3)cc2)C(F)(F)C1
InChIInChI=1S/C20H22F2N2O2/c1-24-12-11-18(20(21,22)14-24)16-7-9-17(10-8-16)23-19(25)26-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,23,25)
InChIKeyWDTUWWBSGOEMHQ-UHFFFAOYSA-N
MW360.40 g/mol
LogP4.49
Rot. Bonds4

About benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate

benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate (PubChem CID 25223284) has the molecular formula C20H22F2N2O2 and a molecular weight of 360.40 g/mol. Its IUPAC name is benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
PubChem CID25223284
Molecular FormulaC20H22F2N2O2
Molecular Weight360.40 g/mol
Exact Mass360.16
IUPAC Namebenzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate
SMILESCN1CCC(c2ccc(NC(=O)OCc3ccccc3)cc2)C(F)(F)C1
InChIInChI=1S/C20H22F2N2O2/c1-24-12-11-18(20(21,22)14-24)16-7-9-17(10-8-16)23-19(25)26-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,23,25)
InChIKeyWDTUWWBSGOEMHQ-UHFFFAOYSA-N
XLogP4.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Carbamic acid, N-(3-fluoro-4-(4-morpholinyl)phenyl)-, phenylmethyl ester
CID 5306150
RS-102895
CID 10000456
4-[4-(benzyloxy)piperidino]butyl-N-(4-fluorophenyl)carbamate
CID 10179120
[1-(4-chlorophenyl)-3-(dimethylamino)propyl] N-[4-(trifluoromethyl)phenyl]carbamate
CID 11526048
RS 102895 hydrochloride
CID 16759153
[3-[4-(4-Fluorophenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 25120701
6-Methyl-6-phenyl-3-[4-(trifluoromethyl)phenyl]-1,3-oxazinan-2-one
CID 25183174
6-Methyl-3,6-diphenyl-1,3-oxazinan-2-one
CID 25183315
benzyl N-[4-(2-aminocyclopropyl)phenyl]carbamate
CID 46830231
2-(dimethylamino)ethyl((2R,4aS,5R,10bS)-5-phenyl-9-(trifluoromethyl)-3,4,4a,5,6,10b-hexahydro-2H-pyrano[3,2-c]quinolin-2-yl)methylcarbamate
CID 46881539
[3-[4-(3-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67280996
[3-[4-(2-Methylphenyl)piperazin-1-yl]-1-phenylpropyl] carbamate
CID 67281007

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate?
The IUPAC name of benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate (CID 25223284) is benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate.
What is the SMILES notation for benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate?
The canonical SMILES for benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate is CN1CCC(c2ccc(NC(=O)OCc3ccccc3)cc2)C(F)(F)C1.
What is the InChIKey of benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate?
The InChIKey is WDTUWWBSGOEMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N2O2/c1-24-12-11-18(20(21,22)14-24)16-7-9-17(10-8-16)23-19(25)26-13-15-5-3-2-4-6-15/h2-10,18H,11-14H2,1H3,(H,23,25).
What are the key properties of benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate?
benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate has a molecular weight of 360.40 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(3,3-difluoro-1-methylpiperidin-4-yl)phenyl]carbamate is sourced from PubChem (CID 25223284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).