benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate

C19H20FNO3 — CID 143774976

IUPACbenzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H20FNO3/c20-17-8-4-5-9-18(17)24-16-10-12-21(13-11-16)19(22)23-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyUTEYWPDDZJQLEW-UHFFFAOYSA-N
MW329.37 g/mol
LogP4.01
Rot. Bonds4

About benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate

benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate (PubChem CID 143774976) has the molecular formula C19H20FNO3 and a molecular weight of 329.37 g/mol. Its IUPAC name is benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
PubChem CID143774976
Molecular FormulaC19H20FNO3
Molecular Weight329.37 g/mol
Exact Mass329.14
IUPAC Namebenzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(Oc2ccccc2F)CC1
InChIInChI=1S/C19H20FNO3/c20-17-8-4-5-9-18(17)24-16-10-12-21(13-11-16)19(22)23-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2
InChIKeyUTEYWPDDZJQLEW-UHFFFAOYSA-N
XLogP4.01
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.37
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

benzyl 4-(difluoromethoxy)piperidine-1-carboxylate
CID 67527865
benzyl 4,5-dihydroxyazepane-1-carboxylate
CID 77454626
benzyl 4-[4-(aminomethyl)phenoxy]piperidine-1-carboxylate
CID 134822051
benzyl 4-(diaminomethoxy)piperidine-1-carboxylate
CID 86651244
tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl 4-bromopiperidine-1-carboxylate
CID 2776275
benzyl 4-[(1-hydroxycyclopropyl)methoxy]piperidine-1-carboxylate
CID 129278212
benzyl 4-(2-aminoethyl)piperidine-1-carboxylate
CID 22405759
benzyl 4-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxylate
CID 121160967
benzyl aziridine-1-carboxylate;silane
CID 158496499
benzyl 4-(5-carbamoyl-2-fluoroanilino)piperidine-1-carboxylate
CID 114280143
benzyl 4-[(4-fluoroanilino)methyl]piperidine-1-carboxylate
CID 170459932

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate (CID 143774976) is benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(Oc2ccccc2F)CC1.
What is the InChIKey of benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate?
The InChIKey is UTEYWPDDZJQLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO3/c20-17-8-4-5-9-18(17)24-16-10-12-21(13-11-16)19(22)23-14-15-6-2-1-3-7-15/h1-9,16H,10-14H2.
What are the key properties of benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate?
benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate has a molecular weight of 329.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(2-fluorophenoxy)piperidine-1-carboxylate is sourced from PubChem (CID 143774976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).