(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate

C13H15ClFNO2 — CID 154246596

IUPAC(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C13H15ClFNO2/c14-11-5-4-10(12(15)8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyJYBRTXLKPWWHNU-UHFFFAOYSA-N
MW271.72 g/mol
LogP3.60
Rot. Bonds2

About (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate

(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate (PubChem CID 154246596) has the molecular formula C13H15ClFNO2 and a molecular weight of 271.72 g/mol. Its IUPAC name is (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate
PubChem CID154246596
Molecular FormulaC13H15ClFNO2
Molecular Weight271.72 g/mol
Exact Mass271.08
IUPAC Name(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate
SMILESO=C(OCc1ccc(Cl)cc1F)N1CCCCC1
InChIInChI=1S/C13H15ClFNO2/c14-11-5-4-10(12(15)8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2
InChIKeyJYBRTXLKPWWHNU-UHFFFAOYSA-N
XLogP3.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.72
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate?
The IUPAC name of (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate (CID 154246596) is (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate.
What is the SMILES notation for (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate?
The canonical SMILES for (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate is O=C(OCc1ccc(Cl)cc1F)N1CCCCC1.
What is the InChIKey of (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate?
The InChIKey is JYBRTXLKPWWHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFNO2/c14-11-5-4-10(12(15)8-11)9-18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7,9H2.
What are the key properties of (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate?
(4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate has a molecular weight of 271.72 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-2-fluorophenyl)methyl piperidine-1-carboxylate is sourced from PubChem (CID 154246596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).