1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid

C14H17F2NO3 — CID 43440909

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H17F2NO3/c15-14(16)20-12-6-2-1-4-10(12)8-17-7-3-5-11(9-17)13(18)19/h1-2,4,6,11,14H,3,5,7-9H2,(H,18,19)
InChIKeyKYVNYVYRTVBICC-UHFFFAOYSA-N
MW285.29 g/mol
LogP2.58
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid

1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid (PubChem CID 43440909) has the molecular formula C14H17F2NO3 and a molecular weight of 285.29 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
PubChem CID43440909
Molecular FormulaC14H17F2NO3
Molecular Weight285.29 g/mol
Exact Mass285.12
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H17F2NO3/c15-14(16)20-12-6-2-1-4-10(12)8-17-7-3-5-11(9-17)13(18)19/h1-2,4,6,11,14H,3,5,7-9H2,(H,18,19)
InChIKeyKYVNYVYRTVBICC-UHFFFAOYSA-N
XLogP2.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
2-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]acetic acid
CID 62688742
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
CID 122040798
1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidine-3-carboxylic acid
CID 119904478
1-[[2-(difluoromethoxy)phenyl]methyl]-5-methylpiperidine-3-carboxylic acid
CID 122121437
methyl 1-[[2-(difluoromethoxy)phenyl]methyl]pyrrolidine-3-carboxylate
CID 112730646
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[2-[2-(difluoromethoxy)phenyl]acetyl]pyrrolidine-3-carboxylic acid
CID 119354951
1-[1-[[2-(difluoromethoxy)phenyl]methyl]piperidin-3-yl]-N-methylmethanamine
CID 61206348
1-[(2-carbamoylphenyl)methyl]piperidine-3-carboxylic acid
CID 43440689
1-[(4-fluoro-2-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 178133859

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid (CID 43440909) is 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
The InChIKey is KYVNYVYRTVBICC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2NO3/c15-14(16)20-12-6-2-1-4-10(12)8-17-7-3-5-11(9-17)13(18)19/h1-2,4,6,11,14H,3,5,7-9H2,(H,18,19).
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid?
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid has a molecular weight of 285.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 43440909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).