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

C24H23FNO3- — CID 22127413

IUPAC4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
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)/p-1
InChIKeyDNUYQQMDAASDDW-UHFFFAOYSA-M
MW392.45 g/mol
LogP3.94
Rot. Bonds4

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

4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (PubChem CID 22127413) has the molecular formula C24H23FNO3- and a molecular weight of 392.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
PubChem CID22127413
Molecular FormulaC24H23FNO3-
Molecular Weight392.45 g/mol
Exact Mass392.17
IUPAC Name4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate
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)/p-1
InChIKeyDNUYQQMDAASDDW-UHFFFAOYSA-M
XLogP3.94
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.45
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate (CID 22127413) is 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate 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-carboxylate?
The InChIKey is DNUYQQMDAASDDW-UHFFFAOYSA-M. 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)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate has a molecular weight of 392.45 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-methyl-5-(naphthalen-2-ylmethoxy)piperidine-1-carboxylate is sourced from PubChem (CID 22127413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).