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

C12H16FNO — CID 42427122

IUPAC(3S)-3-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OC[C@H]2CCCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14H,1-2,7-9H2/t10-/m0/s1
InChIKeyMRDVNADGYFVSME-JTQLQIEISA-N
MW209.26 g/mol
LogP2.20
Rot. Bonds3

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

(3S)-3-[(4-fluorophenoxy)methyl]piperidine (PubChem CID 42427122) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is (3S)-3-[(4-fluorophenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3S)-3-[(4-fluorophenoxy)methyl]piperidine
PubChem CID42427122
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC Name(3S)-3-[(4-fluorophenoxy)methyl]piperidine
SMILESFc1ccc(OC[C@H]2CCCNC2)cc1
InChIInChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14H,1-2,7-9H2/t10-/m0/s1
InChIKeyMRDVNADGYFVSME-JTQLQIEISA-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-(phenoxymethyl)piperidine
CID 26190643
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
(3S)-3-[(4-phenylphenoxy)methyl]piperidine
CID 42427138
(3R)-3-[(4-propoxyphenoxy)methyl]piperidine
CID 86322824
3-[[4-(4-chlorophenyl)phenoxy]methyl]piperidine
CID 58992633
3-[(4-bromo-3-fluorophenoxy)methyl]piperidine
CID 65203857
2-[4-(piperidin-3-ylmethoxy)phenyl]ethanol
CID 103694745
2-fluoro-4-(piperidin-3-ylmethoxy)aniline;dihydrochloride
CID 164576780
3-[[2-[(4-fluorophenoxy)methyl]pyrrolidin-1-yl]methyl]piperidine
CID 120850211
(3R)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190858
(3S)-3-(naphthalen-2-yloxymethyl)piperidine
CID 26190856

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4-fluorophenoxy)methyl]piperidine?
The IUPAC name of (3S)-3-[(4-fluorophenoxy)methyl]piperidine (CID 42427122) is (3S)-3-[(4-fluorophenoxy)methyl]piperidine.
What is the SMILES notation for (3S)-3-[(4-fluorophenoxy)methyl]piperidine?
The canonical SMILES for (3S)-3-[(4-fluorophenoxy)methyl]piperidine is Fc1ccc(OC[C@H]2CCCNC2)cc1.
What is the InChIKey of (3S)-3-[(4-fluorophenoxy)methyl]piperidine?
The InChIKey is MRDVNADGYFVSME-JTQLQIEISA-N. The full InChI is InChI=1S/C12H16FNO/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10/h3-6,10,14H,1-2,7-9H2/t10-/m0/s1.
What are the key properties of (3S)-3-[(4-fluorophenoxy)methyl]piperidine?
(3S)-3-[(4-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 (3S)-3-[(4-fluorophenoxy)methyl]piperidine is sourced from PubChem (CID 42427122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).