2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid

C15H19F2NO3 — CID 62688742

IUPAC2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C15H19F2NO3/c16-15(17)21-13-6-2-1-5-12(13)10-18-7-3-4-11(9-18)8-14(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,19,20)
InChIKeyCHJUGUYMRFYAPA-UHFFFAOYSA-N
MW299.32 g/mol
LogP2.97
Rot. Bonds6

About 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid

2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid (PubChem CID 62688742) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
PubChem CID62688742
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
SMILESO=C(O)CC1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C15H19F2NO3/c16-15(17)21-13-6-2-1-5-12(13)10-18-7-3-4-11(9-18)8-14(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,19,20)
InChIKeyCHJUGUYMRFYAPA-UHFFFAOYSA-N
XLogP2.97
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
3-[(3R)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-1-morpholin-4-ylpropan-1-one
CID 26327720
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
3-[(3S)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 42394249
2-[(3R)-1-benzylpiperidin-3-yl]acetic acid
CID 86313785
2-[1-[(2-nitrophenyl)methyl]piperidin-3-yl]acetic acid
CID 62689776
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
[(3S)-3-(cyclopropylmethyl)-1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]methanol
CID 97123129
N-[[(3S)-1-[(2-propan-2-yloxyphenyl)methyl]piperidin-3-yl]methyl]acetamide
CID 95187363
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
2-[1-[(2,6-difluorophenyl)methyl]piperidin-3-yl]acetic acid
CID 65060111

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid (CID 62688742) is 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid is O=C(O)CC1CCCN(Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid?
The InChIKey is CHJUGUYMRFYAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c16-15(17)21-13-6-2-1-5-12(13)10-18-7-3-4-11(9-18)8-14(19)20/h1-2,5-6,11,15H,3-4,7-10H2,(H,19,20).
What are the key properties of 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid?
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid has a molecular weight of 299.32 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 62688742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).