2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid

C14H18FNO3 — CID 165429453

IUPAC2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c15-12-5-1-2-6-13(12)19-10-11-4-3-7-16(8-11)9-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m1/s1
InChIKeyWTRIAJKSXMNLQQ-LLVKDONJSA-N
MW267.30 g/mol
LogP2.00
Rot. Bonds5

About 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid

2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid (PubChem CID 165429453) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
PubChem CID165429453
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
SMILESO=C(O)CN1CCC[C@@H](COc2ccccc2F)C1
InChIInChI=1S/C14H18FNO3/c15-12-5-1-2-6-13(12)19-10-11-4-3-7-16(8-11)9-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m1/s1
InChIKeyWTRIAJKSXMNLQQ-LLVKDONJSA-N
XLogP2.00
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]acetic acid
CID 165429432
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 70712182
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 92612861
[5-[[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]furan-2-yl]methanol
CID 95121456
2-chloro-1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]ethanone
CID 162679483
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 110638623
1-[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-3-phenoxypropan-1-one
CID 110638619
methyl 2-[3-[(2-iodophenoxy)methyl]piperidin-1-yl]acetate
CID 165429412
1-ethylsulfonyl-3-[(2-fluorophenoxy)methyl]piperidine
CID 110638637
N-(4-fluorophenyl)-2-[3-(phenoxymethyl)piperidin-1-yl]acetamide
CID 86972270
[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 110638610
3-[[3-[(2-fluorophenoxy)methyl]piperidin-1-yl]methyl]-1H-pyrazin-2-one
CID 22248249

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The IUPAC name of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid (CID 165429453) is 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The canonical SMILES for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid is O=C(O)CN1CCC[C@@H](COc2ccccc2F)C1.
What is the InChIKey of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
The InChIKey is WTRIAJKSXMNLQQ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18FNO3/c15-12-5-1-2-6-13(12)19-10-11-4-3-7-16(8-11)9-14(17)18/h1-2,5-6,11H,3-4,7-10H2,(H,17,18)/t11-/m1/s1.
What are the key properties of 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid?
2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid has a molecular weight of 267.30 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-[(2-fluorophenoxy)methyl]piperidin-1-yl]acetic acid is sourced from PubChem (CID 165429453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).