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

C26H25FNO4- — CID 22126950

IUPAC4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESC=CCOc1cc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc2ccccc12
InChIInChI=1S/C26H26FNO4/c1-2-13-31-24-15-18(14-20-5-3-4-6-22(20)24)17-32-25-16-28(26(29)30)12-11-23(25)19-7-9-21(27)10-8-19/h2-10,14-15,23,25H,1,11-13,16-17H2,(H,29,30)/p-1
InChIKeyZJHPBDRGKNVOJA-UHFFFAOYSA-M
MW434.49 g/mol
LogP4.26
Rot. Bonds7

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

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (PubChem CID 22126950) has the molecular formula C26H25FNO4- and a molecular weight of 434.49 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
PubChem CID22126950
Molecular FormulaC26H25FNO4-
Molecular Weight434.49 g/mol
Exact Mass434.18
IUPAC Name4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
SMILESC=CCOc1cc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc2ccccc12
InChIInChI=1S/C26H26FNO4/c1-2-13-31-24-15-18(14-20-5-3-4-6-22(20)24)17-32-25-16-28(26(29)30)12-11-23(25)19-7-9-21(27)10-8-19/h2-10,14-15,23,25H,1,11-13,16-17H2,(H,29,30)/p-1
InChIKeyZJHPBDRGKNVOJA-UHFFFAOYSA-M
XLogP4.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.49
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22126951
4-(4-fluorophenyl)-3-[[4-(pyridin-3-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22127103
4-(4-fluorophenyl)-3-[[4-(pyridin-4-ylmethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylic acid
CID 22126836
2-trimethylsilylethyl 3-[[4-(2-carbamoyloxyethoxy)naphthalen-2-yl]methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 54560816
4-(4-fluorophenyl)-3-[(3-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22126819
4-(4-fluorophenyl)-3-[(1-methoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate
CID 22127874
3-[(3-benzoylphenyl)methoxy]-4-(4-fluorophenyl)piperidine-1-carboxylate
CID 22128638
4-[3-(hydroxymethyl)phenyl]-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylic acid
CID 22128922
3-[(1,4-dimethoxynaphthalen-2-yl)methoxy]-4-(4-prop-2-enoxyphenyl)piperidine-1-carboxylate
CID 22128811
(3R,4S)-4-(4-fluorophenyl)-3-[(4-phenylmethoxynaphthalen-2-yl)methoxy]piperidine
CID 10160522
4-(4-fluorophenyl)-3-[(4-methylsulfinylphenyl)methoxy]piperidine-1-carboxylate
CID 22127028
4-[4-[2-(pyridin-3-ylmethoxy)ethoxy]phenyl]-3-[[4-(2-trimethylsilylethoxymethoxy)naphthalen-2-yl]methoxy]piperidine-1-carboxylate
CID 22128786

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The IUPAC name of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate (CID 22126950) is 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate.
What is the SMILES notation for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The canonical SMILES for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is C=CCOc1cc(COC2CN(C(=O)[O-])CCC2c2ccc(F)cc2)cc2ccccc12.
What is the InChIKey of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
The InChIKey is ZJHPBDRGKNVOJA-UHFFFAOYSA-M. The full InChI is InChI=1S/C26H26FNO4/c1-2-13-31-24-15-18(14-20-5-3-4-6-22(20)24)17-32-25-16-28(26(29)30)12-11-23(25)19-7-9-21(27)10-8-19/h2-10,14-15,23,25H,1,11-13,16-17H2,(H,29,30)/p-1.
What are the key properties of 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate?
4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate has a molecular weight of 434.49 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-3-[(4-prop-2-enoxynaphthalen-2-yl)methoxy]piperidine-1-carboxylate is sourced from PubChem (CID 22126950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).