4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

C24H24FNO3 — CID 22127414

IUPAC4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(OCc2ccc3ccccc3c2)C1c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3/c1-16-13-26(24(27)28)14-22(23(16)19-8-10-21(25)11-9-19)29-15-17-6-7-18-4-2-3-5-20(18)12-17/h2-12,16,22-23H,13-15H2,1H3,(H,27,28)
InChIKeyDNUYQQMDAASDDW-UHFFFAOYSA-N
MW393.46 g/mol
LogP5.28
Rot. Bonds4

About 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid

4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (PubChem CID 22127414) has the molecular formula C24H24FNO3 and a molecular weight of 393.46 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
PubChem CID22127414
Molecular FormulaC24H24FNO3
Molecular Weight393.46 g/mol
Exact Mass393.17
IUPAC Name4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid
SMILESCC1CN(C(=O)O)CC(OCc2ccc3ccccc3c2)C1c1ccc(F)cc1
InChIInChI=1S/C24H24FNO3/c1-16-13-26(24(27)28)14-22(23(16)19-8-10-21(25)11-9-19)29-15-17-6-7-18-4-2-3-5-20(18)12-17/h2-12,16,22-23H,13-15H2,1H3,(H,27,28)
InChIKeyDNUYQQMDAASDDW-UHFFFAOYSA-N
XLogP5.28
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid (CID 22127414) is 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is CC1CN(C(=O)O)CC(OCc2ccc3ccccc3c2)C1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
The InChIKey is DNUYQQMDAASDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO3/c1-16-13-26(24(27)28)14-22(23(16)19-8-10-21(25)11-9-19)29-15-17-6-7-18-4-2-3-5-20(18)12-17/h2-12,16,22-23H,13-15H2,1H3,(H,27,28).
What are the key properties of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid?
4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid has a molecular weight of 393.46 g/mol, XLogP of 5.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylic acid is sourced from PubChem (CID 22127414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).