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

C18H19F2NO3 — CID 122040798

IUPAC1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2c(OC(F)F)ccc3ccccc23)C1
InChIInChI=1S/C18H19F2NO3/c19-18(20)24-16-8-7-12-4-1-2-6-14(12)15(16)11-21-9-3-5-13(10-21)17(22)23/h1-2,4,6-8,13,18H,3,5,9-11H2,(H,22,23)
InChIKeyOIRKBVLWMVMDDW-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.74
Rot. Bonds5

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

1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid (PubChem CID 122040798) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
PubChem CID122040798
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC Name1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid
SMILESO=C(O)C1CCCN(Cc2c(OC(F)F)ccc3ccccc23)C1
InChIInChI=1S/C18H19F2NO3/c19-18(20)24-16-8-7-12-4-1-2-6-14(12)15(16)11-21-9-3-5-13(10-21)17(22)23/h1-2,4,6-8,13,18H,3,5,9-11H2,(H,22,23)
InChIKeyOIRKBVLWMVMDDW-UHFFFAOYSA-N
XLogP3.74
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-prop-2-enoxynaphthalen-1-yl)methyl]piperidine-3-carboxylic acid
CID 54848110
1-[[2-(difluoromethoxy)phenyl]methyl]piperidine-3-carboxylic acid
CID 43440909
(3S,4S)-3-hydroxy-1-[(2-propan-2-yloxynaphthalen-1-yl)methyl]piperidine-4-carboxylic acid
CID 135111768
1-[(2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848340
1-[[2-(3-methylbutoxy)naphthalen-1-yl]methyl]piperidine-3-carbohydrazide
CID 54848268
1-[(3-methoxynaphthalen-2-yl)methyl]piperidine-3-carboxylic acid
CID 122040667
1-[(3-methoxy-2-propan-2-yloxyphenyl)methyl]piperidine-3-carboxylic acid
CID 54848176
1-[[2-(difluoromethoxy)phenyl]methyl]-N,N-dimethylpiperidine-3-carboxamide
CID 56822095
1-[(2-ethyl-1-benzofuran-3-yl)methyl]piperidine-3-carboxylic acid
CID 122040712
(3S,4S)-1-[(2-ethoxynaphthalen-1-yl)methyl]-3-hydroxypiperidine-4-carboxylic acid
CID 135094948
1-[(2-chloro-6-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 114322169
(3S)-1-[(3-chloro-4-methylquinolin-2-yl)methyl]piperidine-3-carboxylic acid
CID 124694319

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid (CID 122040798) is 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid is O=C(O)C1CCCN(Cc2c(OC(F)F)ccc3ccccc23)C1.
What is the InChIKey of 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid?
The InChIKey is OIRKBVLWMVMDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c19-18(20)24-16-8-7-12-4-1-2-6-14(12)15(16)11-21-9-3-5-13(10-21)17(22)23/h1-2,4,6-8,13,18H,3,5,9-11H2,(H,22,23).
What are the key properties of 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid?
1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid has a molecular weight of 335.35 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)naphthalen-1-yl]methyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122040798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).