(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine

C12H15F2NO — CID 144644236

IUPAC(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OC[C@]2(F)CCCNC2)cc1
InChIInChI=1S/C12H15F2NO/c13-10-2-4-11(5-3-10)16-9-12(14)6-1-7-15-8-12/h2-5,15H,1,6-9H2/t12-/m0/s1
InChIKeyGEURSCLBMCBXOL-LBPRGKRZSA-N
MW227.25 g/mol
LogP2.30
Rot. Bonds3

About (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine

(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 144644236) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
PubChem CID144644236
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OC[C@]2(F)CCCNC2)cc1
InChIInChI=1S/C12H15F2NO/c13-10-2-4-11(5-3-10)16-9-12(14)6-1-7-15-8-12/h2-5,15H,1,6-9H2/t12-/m0/s1
InChIKeyGEURSCLBMCBXOL-LBPRGKRZSA-N
XLogP2.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Piperidine, 3-((2-ethoxyphenoxy)methyl)-
CID 3064458
4-Phenoxypiperidine
CID 18878
Methyl(3-phenoxypropyl)amine
CID 22067856
4-(2-(Benzyloxy)-6-fluorophenyl)piperidine
CID 45483406
4-[(4-Fluoro-phenoxy)-(4-fluoro-phenyl)-methyl]-piperidine
CID 9817902
3-(4-Fluorophenoxy)propan-1-amine
CID 14025825
1-(3-(4-(Fluoromethyl)phenoxy)propyl)piperidine
CID 44592096
4-(2-(2-Fluorobenzyloxy)phenyl)piperidine
CID 45483400
4-(2-(4-Fluorobenzyloxy)phenyl)piperidine
CID 45483407
(3-Phenoxy-propyl)-(3-phenyl-propyl)-amine
CID 9948461
4-[(3-Fluoro-phenoxy)-(3-fluoro-phenyl)-methyl]-piperidine
CID 10266962
3-[(4-Fluoro-phenyl)-p-tolyloxy-methyl]-piperidine
CID 11174064

Frequently Asked Questions

What is the IUPAC name of (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine (CID 144644236) is (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine is Fc1ccc(OC[C@]2(F)CCCNC2)cc1.
What is the InChIKey of (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is GEURSCLBMCBXOL-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-10-2-4-11(5-3-10)16-9-12(14)6-1-7-15-8-12/h2-5,15H,1,6-9H2/t12-/m0/s1.
What are the key properties of (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine?
(3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine has a molecular weight of 227.25 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-fluoro-3-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 144644236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).