(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine

C13H18FNO — CID 92670023

IUPAC(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
SMILESCc1cc(F)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H18FNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyGACDEXJSPDCERZ-LLVKDONJSA-N
MW223.29 g/mol
LogP2.51
Rot. Bonds3

About (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine

(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine (PubChem CID 92670023) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
PubChem CID92670023
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine
SMILESCc1cc(F)ccc1OC[C@@H]1CCCNC1
InChIInChI=1S/C13H18FNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1
InChIKeyGACDEXJSPDCERZ-LLVKDONJSA-N
XLogP2.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[(4-bromo-2-methylphenoxy)methyl]piperidine
CID 26190956
3-[(2-methylphenoxy)methyl]piperidine
CID 18524094
5-fluoro-2-(piperidin-3-ylmethoxy)benzonitrile
CID 63673481
(3S)-3-[(4-fluorophenoxy)methyl]piperidine
CID 42427122
2-(2-chloro-4-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68596688
(3S)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188575
(3R)-3-[(3-fluorophenoxy)methyl]piperidine
CID 26188571
difluoromethane;3-[(2-fluorophenoxy)methyl]piperidine
CID 166104221
(3S)-3-[(4-iodo-2-methylphenoxy)methyl]pyrrolidine;hydrochloride
CID 166175538
(3S)-3-[(2-methyl-5-propan-2-ylphenoxy)methyl]piperidine
CID 28750110
3-[(4-fluoro-2-methoxyphenyl)methyl]piperidine
CID 84789117
tert-butyl formate;(3R)-3-[(2-methylphenoxy)methyl]piperidine
CID 174631529

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine?
The IUPAC name of (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine (CID 92670023) is (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine.
What is the SMILES notation for (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine?
The canonical SMILES for (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine is Cc1cc(F)ccc1OC[C@@H]1CCCNC1.
What is the InChIKey of (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine?
The InChIKey is GACDEXJSPDCERZ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H18FNO/c1-10-7-12(14)4-5-13(10)16-9-11-3-2-6-15-8-11/h4-5,7,11,15H,2-3,6,8-9H2,1H3/t11-/m1/s1.
What are the key properties of (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine?
(3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine has a molecular weight of 223.29 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[(4-fluoro-2-methylphenoxy)methyl]piperidine is sourced from PubChem (CID 92670023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).