4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid

C17H18FNO2 — CID 118164700

IUPAC4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C17H18FNO2/c18-16-4-3-14-10-13(1-2-15(14)11-16)9-12-5-7-19(8-6-12)17(20)21/h1-4,10-12H,5-9H2,(H,20,21)
InChIKeyIENFGNJLIJTSHV-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.91
Rot. Bonds2

About 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid

4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid (PubChem CID 118164700) has the molecular formula C17H18FNO2 and a molecular weight of 287.33 g/mol. Its IUPAC name is 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
PubChem CID118164700
Molecular FormulaC17H18FNO2
Molecular Weight287.33 g/mol
Exact Mass287.13
IUPAC Name4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Cc2ccc3cc(F)ccc3c2)CC1
InChIInChI=1S/C17H18FNO2/c18-16-4-3-14-10-13(1-2-15(14)11-16)9-12-5-7-19(8-6-12)17(20)21/h1-4,10-12H,5-9H2,(H,20,21)
InChIKeyIENFGNJLIJTSHV-UHFFFAOYSA-N
XLogP3.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid (CID 118164700) is 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(Cc2ccc3cc(F)ccc3c2)CC1.
What is the InChIKey of 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid?
The InChIKey is IENFGNJLIJTSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO2/c18-16-4-3-14-10-13(1-2-15(14)11-16)9-12-5-7-19(8-6-12)17(20)21/h1-4,10-12H,5-9H2,(H,20,21).
What are the key properties of 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid?
4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid has a molecular weight of 287.33 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-fluoronaphthalen-2-yl)methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 118164700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).