(3R)-3-[(3-fluorophenoxy)methyl]piperidine

C12H16FNO — CID 26188571

IUPAC(3R)-3-[(3-fluorophenoxy)methyl]piperidine
SMILESFc1cccc(OC[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H16FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14H,2-3,6,8-9H2/t10-/m1/s1
InChIKeyDFSSBGQXURBSLS-SNVBAGLBSA-N
MW209.26 g/mol
LogP2.20
Rot. Bonds3

About (3R)-3-[(3-fluorophenoxy)methyl]piperidine

(3R)-3-[(3-fluorophenoxy)methyl]piperidine (PubChem CID 26188571) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3R)-3-[(3-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(3-fluorophenoxy)methyl]piperidine
PubChem CID26188571
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3R)-3-[(3-fluorophenoxy)methyl]piperidine
SMILESFc1cccc(OC[C@@H]2CCCNC2)c1
InChIInChI=1S/C12H16FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14H,2-3,6,8-9H2/t10-/m1/s1
InChIKeyDFSSBGQXURBSLS-SNVBAGLBSA-N
XLogP2.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
3-[[(3S)-piperidin-3-yl]methoxy]benzonitrile
CID 93481139
1-(cyclohexylmethoxy)-3-fluorobenzene
CID 60731171
(3S)-3-(phenoxymethyl)piperidine
CID 26190643
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
3-[(2,6-difluorophenoxy)methyl]piperidine
CID 81268520
2-fluoro-4-(piperidin-3-ylmethoxy)aniline;dihydrochloride
CID 164576780
2-[3-(piperidin-3-ylmethoxy)phenyl]acetic acid
CID 170886815
(3R)-3-[(3,4-dichlorophenoxy)methyl]piperidine
CID 26190720

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(3-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(3-fluorophenoxy)methyl]piperidine (CID 26188571) is (3R)-3-[(3-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(3-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(3-fluorophenoxy)methyl]piperidine is Fc1cccc(OC[C@@H]2CCCNC2)c1.
What is the InChIKey of (3R)-3-[(3-fluorophenoxy)methyl]piperidine?
The InChIKey is DFSSBGQXURBSLS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-4-1-5-12(7-11)15-9-10-3-2-6-14-8-10/h1,4-5,7,10,14H,2-3,6,8-9H2/t10-/m1/s1.
What are the key properties of (3R)-3-[(3-fluorophenoxy)methyl]piperidine?
(3R)-3-[(3-fluorophenoxy)methyl]piperidine has a molecular weight of 209.26 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(3-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 26188571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).