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

C24H23FNO4- — CID 22127874

IUPAC4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C24H24FNO4/c1-29-23-18(7-6-16-4-2-3-5-21(16)23)15-30-22-14-26(24(27)28)13-12-20(22)17-8-10-19(25)11-9-17/h2-11,20,22H,12-15H2,1H3,(H,27,28)/p-1
InChIKeySEDFKIHVEDFLGY-UHFFFAOYSA-M
MW408.45 g/mol
LogP3.71
Rot. Bonds5

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

4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (PubChem CID 22127874) has the molecular formula C24H23FNO4- and a molecular weight of 408.45 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
PubChem CID22127874
Molecular FormulaC24H23FNO4-
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Name4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESCOc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12
InChIInChI=1S/C24H24FNO4/c1-29-23-18(7-6-16-4-2-3-5-21(16)23)15-30-22-14-26(24(27)28)13-12-20(22)17-8-10-19(25)11-9-17/h2-11,20,22H,12-15H2,1H3,(H,27,28)/p-1
InChIKeySEDFKIHVEDFLGY-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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Related Compounds

4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[[1-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127455
4-(4-fluorophenyl)-3-[(1-hydroxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128461
4-(4-fluorophenyl)-3-[(1-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22127187
3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-methoxy-3-phenylmethoxypropoxy)phenyl]piperidine-1-carboxylate
CID 22128308
tert-butyl 4-[4-(2-hydroxyethyl)phenyl]-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 91308798
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-[4-[3-(2-methoxyphenoxy)propoxy]phenyl]piperidine-1-carboxylate
CID 22127310
tert-butyl 3-[(1-methoxynaphthalen-2-yl)methoxy]-4-[4-(2-phenoxyethyl)phenyl]piperidine-1-carboxylate
CID 54214747
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126950
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
CID 22128811
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (CID 22127874) is 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is COc1c(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)ccc2ccccc12.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is SEDFKIHVEDFLGY-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H24FNO4/c1-29-23-18(7-6-16-4-2-3-5-21(16)23)15-30-22-14-26(24(27)28)13-12-20(22)17-8-10-19(25)11-9-17/h2-11,20,22H,12-15H2,1H3,(H,27,28)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[(1-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-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22127874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).