benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene

C19H21BrFNO2 — CID 143436152

IUPACbenzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
SMILESFc1ccccc1Br.O=C(OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO2.C6H4BrF/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12;7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2,5-6,9-11H2;1-4H
InChIKeyREUDIAGEQRZHGF-UHFFFAOYSA-N
MW394.28 g/mol
LogP5.40
Rot. Bonds2

About benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene

benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene (PubChem CID 143436152) has the molecular formula C19H21BrFNO2 and a molecular weight of 394.28 g/mol. Its IUPAC name is benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene.

Molecular Properties

Compound Namebenzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
PubChem CID143436152
Molecular FormulaC19H21BrFNO2
Molecular Weight394.28 g/mol
Exact Mass393.07
IUPAC Namebenzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene
SMILESFc1ccccc1Br.O=C(OCc1ccccc1)N1CCCCC1
InChIInChI=1S/C13H17NO2.C6H4BrF/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12;7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2,5-6,9-11H2;1-4H
InChIKeyREUDIAGEQRZHGF-UHFFFAOYSA-N
XLogP5.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.28
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzyl piperidine-1-carboxylate
CID 158057698
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
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CID 158496499
benzyl 4-(piperidin-1-ylmethylidene)piperidine-1-carboxylate
CID 86642880
(4-aminophenyl)methyl piperidine-1-carboxylate
CID 67586124
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
CID 143774976
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-(3-fluoropiperidine-1-carbonyl)piperidine-1-carboxylate
CID 169044811
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl (4R)-4-pyrrolidin-1-ylazepane-1-carboxylate
CID 71192780
benzyl 3-fluoro-4-hydroxyazocane-1-carboxylate
CID 122547417
benzyl (3S)-3-acetylpiperidine-1-carboxylate
CID 86330253

Frequently Asked Questions

What is the IUPAC name of benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene?
The IUPAC name of benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene (CID 143436152) is benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene.
What is the SMILES notation for benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene?
The canonical SMILES for benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene is Fc1ccccc1Br.O=C(OCc1ccccc1)N1CCCCC1.
What is the InChIKey of benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene?
The InChIKey is REUDIAGEQRZHGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2.C6H4BrF/c15-13(14-9-5-2-6-10-14)16-11-12-7-3-1-4-8-12;7-5-3-1-2-4-6(5)8/h1,3-4,7-8H,2,5-6,9-11H2;1-4H.
What are the key properties of benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene?
benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene has a molecular weight of 394.28 g/mol, XLogP of 5.40, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl piperidine-1-carboxylate;1-bromo-2-fluorobenzene is sourced from PubChem (CID 143436152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).