benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate

C20H23FN2O2 — CID 68612218

IUPACbenzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)C1CCNCC1F
InChIInChI=1S/C20H23FN2O2/c21-18-13-22-12-11-19(18)23(14-16-7-3-1-4-8-16)20(24)25-15-17-9-5-2-6-10-17/h1-10,18-19,22H,11-15H2
InChIKeyGXYKKFZKSCJSLI-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.53
Rot. Bonds5

About benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate

benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate (PubChem CID 68612218) has the molecular formula C20H23FN2O2 and a molecular weight of 342.41 g/mol. Its IUPAC name is benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate.

Molecular Properties

Compound Namebenzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
PubChem CID68612218
Molecular FormulaC20H23FN2O2
Molecular Weight342.41 g/mol
Exact Mass342.17
IUPAC Namebenzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate
SMILESO=C(OCc1ccccc1)N(Cc1ccccc1)C1CCNCC1F
InChIInChI=1S/C20H23FN2O2/c21-18-13-22-12-11-19(18)23(14-16-7-3-1-4-8-16)20(24)25-15-17-9-5-2-6-10-17/h1-10,18-19,22H,11-15H2
InChIKeyGXYKKFZKSCJSLI-UHFFFAOYSA-N
XLogP3.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl-[(3S,4R)-3-methoxypiperidin-4-yl]carbamic acid
CID 168862112
benzyl N-(4-fluoro-2-nitrophenyl)-N-[(3S,4R)-3-fluoropiperidin-4-yl]carbamate
CID 68792615
benzyl N-(2-hydroxyethyl)-N-piperidin-4-ylcarbamate
CID 171068971
benzyl N-(1-azabicyclo[2.2.2]octan-3-yl)-N-benzylcarbamate
CID 175103285
benzyl N-cyclopropyl-N-[(3S)-piperidin-3-yl]carbamate
CID 66569398
benzyl N-benzyl-N-[(1R,2R,3R,4S)-5-oxo-2,3,4-tris(phenylmethoxy)cycloheptyl]carbamate
CID 13006318
benzyl N-[[(3S,4R)-3-fluoropiperidin-4-yl]methyl]carbamate;hydrochloride
CID 168885230
benzyl(piperidin-4-yl)carbamic acid
CID 54298382
[benzyl-(4-fluoropiperidin-3-yl)amino]phosphonic acid
CID 67080586
benzyl N-cyclopropyl-N-propylcarbamate
CID 130159300
tert-butyl N-benzyl-N-[(3S,4S)-4-methoxypiperidin-3-yl]carbamate
CID 67080607
benzyl N-propan-2-yl-N-[[(3R)-pyrrolidin-3-yl]methyl]carbamate
CID 96555674

Frequently Asked Questions

What is the IUPAC name of benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate?
The IUPAC name of benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate (CID 68612218) is benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate.
What is the SMILES notation for benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate?
The canonical SMILES for benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate is O=C(OCc1ccccc1)N(Cc1ccccc1)C1CCNCC1F.
What is the InChIKey of benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate?
The InChIKey is GXYKKFZKSCJSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O2/c21-18-13-22-12-11-19(18)23(14-16-7-3-1-4-8-16)20(24)25-15-17-9-5-2-6-10-17/h1-10,18-19,22H,11-15H2.
What are the key properties of benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate?
benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate has a molecular weight of 342.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-benzyl-N-(3-fluoropiperidin-4-yl)carbamate is sourced from PubChem (CID 68612218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).