(4-fluorophenyl) piperidine-1-carboxylate

C12H14FNO2 — CID 895621

IUPAC(4-fluorophenyl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C12H14FNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyDXTPIMILZQNZKA-UHFFFAOYSA-N
MW223.25 g/mol
LogP2.81
Rot. Bonds1

About (4-fluorophenyl) piperidine-1-carboxylate

(4-fluorophenyl) piperidine-1-carboxylate (PubChem CID 895621) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluorophenyl) piperidine-1-carboxylate.

Molecular Properties

Compound Name(4-fluorophenyl) piperidine-1-carboxylate
PubChem CID895621
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluorophenyl) piperidine-1-carboxylate
SMILESO=C(Oc1ccc(F)cc1)N1CCCCC1
InChIInChI=1S/C12H14FNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKeyDXTPIMILZQNZKA-UHFFFAOYSA-N
XLogP2.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluorophenyl) 3-oxopiperidine-1-carboxylate
CID 116819308
[4-(2,3,4-trifluorophenyl)phenyl] piperidine-1-carboxylate
CID 175360076
(4-phenoxyphenyl) pyrrolidine-1-carboxylate
CID 54080617
[4-[4-(trifluoromethoxy)phenyl]phenyl] pyrrolidine-1-carboxylate
CID 141055177
pyridazin-4-yl piperidine-1-carboxylate
CID 175189691
1H-indol-5-yl piperidine-1-carboxylate
CID 175932664
[8-(piperidine-1-carbonyloxy)naphthalen-2-yl] piperidine-1-carboxylate
CID 23766816
phenyl 4-(piperidine-1-carbonyl)piperidine-1-carboxylate
CID 141023786
phenyl 4-(2,4-difluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110809187
(4-butoxycarbonylphenyl) piperidine-1-carboxylate
CID 13371959
(6-methoxy-3-pyridinyl) piperidine-1-carboxylate
CID 176955867
[4-(4-fluorophenoxy)phenyl]-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 24610437

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl) piperidine-1-carboxylate?
The IUPAC name of (4-fluorophenyl) piperidine-1-carboxylate (CID 895621) is (4-fluorophenyl) piperidine-1-carboxylate.
What is the SMILES notation for (4-fluorophenyl) piperidine-1-carboxylate?
The canonical SMILES for (4-fluorophenyl) piperidine-1-carboxylate is O=C(Oc1ccc(F)cc1)N1CCCCC1.
What is the InChIKey of (4-fluorophenyl) piperidine-1-carboxylate?
The InChIKey is DXTPIMILZQNZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-10-4-6-11(7-5-10)16-12(15)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2.
What are the key properties of (4-fluorophenyl) piperidine-1-carboxylate?
(4-fluorophenyl) piperidine-1-carboxylate has a molecular weight of 223.25 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl) piperidine-1-carboxylate is sourced from PubChem (CID 895621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).