4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate

C24H23FNO4- — CID 22126819

IUPAC4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1cc2ccccc2cc1COC1CN(C(=O)[O-])CCC1c1ccc(F)cc1
InChIInChI=1S/C24H24FNO4/c1-29-22-13-18-5-3-2-4-17(18)12-19(22)15-30-23-14-26(24(27)28)11-10-21(23)16-6-8-20(25)9-7-16/h2-9,12-13,21,23H,10-11,14-15H2,1H3,(H,27,28)/p-1
InChIKeyGBIDZLQNISORRN-UHFFFAOYSA-M
MW408.45 g/mol
LogP3.71
Rot. Bonds5

About 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate

4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (PubChem CID 22126819) has the molecular formula C24H23FNO4- and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
PubChem CID22126819
Molecular FormulaC24H23FNO4-
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1cc2ccccc2cc1COC1CN(C(=O)[O-])CCC1c1ccc(F)cc1
InChIInChI=1S/C24H24FNO4/c1-29-22-13-18-5-3-2-4-17(18)12-19(22)15-30-23-14-26(24(27)28)11-10-21(23)16-6-8-20(25)9-7-16/h2-9,12-13,21,23H,10-11,14-15H2,1H3,(H,27,28)/p-1
InChIKeyGBIDZLQNISORRN-UHFFFAOYSA-M
XLogP3.71
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (CID 22126819) is 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is COc1cc2ccccc2cc1COC1CN(C(=O)[O-])CCC1c1ccc(F)cc1.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is GBIDZLQNISORRN-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24FNO4/c1-29-22-13-18-5-3-2-4-17(18)12-19(22)15-30-23-14-26(24(27)28)11-10-21(23)16-6-8-20(25)9-7-16/h2-9,12-13,21,23H,10-11,14-15H2,1H3,(H,27,28)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22126819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).