benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate

C19H19ClFNO2 — CID 23157020

IUPACbenzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClFNO2/c20-17-9-5-4-8-16(17)19(21)10-12-22(13-11-19)18(23)24-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUSPQYSBNGRSRAG-UHFFFAOYSA-N
MW347.82 g/mol
LogP4.94
Rot. Bonds3

About benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate

benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate (PubChem CID 23157020) has the molecular formula C19H19ClFNO2 and a molecular weight of 347.82 g/mol. Its IUPAC name is benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate
PubChem CID23157020
Molecular FormulaC19H19ClFNO2
Molecular Weight347.82 g/mol
Exact Mass347.11
IUPAC Namebenzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(F)(c2ccccc2Cl)CC1
InChIInChI=1S/C19H19ClFNO2/c20-17-9-5-4-8-16(17)19(21)10-12-22(13-11-19)18(23)24-14-15-6-2-1-3-7-15/h1-9H,10-14H2
InChIKeyUSPQYSBNGRSRAG-UHFFFAOYSA-N
XLogP4.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.82
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate (CID 23157020) is benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(F)(c2ccccc2Cl)CC1.
What is the InChIKey of benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate?
The InChIKey is USPQYSBNGRSRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClFNO2/c20-17-9-5-4-8-16(17)19(21)10-12-22(13-11-19)18(23)24-14-15-6-2-1-3-7-15/h1-9H,10-14H2.
What are the key properties of benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate?
benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate has a molecular weight of 347.82 g/mol, XLogP of 4.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-chlorophenyl)-4-fluoropiperidine-1-carboxylate is sourced from PubChem (CID 23157020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).