4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine

C20H22FN5O — CID 133422212

IUPAC4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
SMILESCc1ccc(-n2nnnc2N2CCC(OCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-20(22-23-24-26)25-12-10-19(11-13-25)27-14-16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyMEFXYCWRMACSRQ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.30
Rot. Bonds5

About 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine

4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine (PubChem CID 133422212) has the molecular formula C20H22FN5O and a molecular weight of 367.43 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine.

Molecular Properties

Compound Name4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
PubChem CID133422212
Molecular FormulaC20H22FN5O
Molecular Weight367.43 g/mol
Exact Mass367.18
IUPAC Name4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine
SMILESCc1ccc(-n2nnnc2N2CCC(OCc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-20(22-23-24-26)25-12-10-19(11-13-25)27-14-16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3
InChIKeyMEFXYCWRMACSRQ-UHFFFAOYSA-N
XLogP3.30
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-benzyloxy-1[H]-phenyltetrazole
CID 5082830
Tert-butyl 4-[[4-[2-fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine-1-carboxylate
CID 68617679
4-[[4-[2-Fluoro-4-(tetrazol-1-yl)phenyl]phenyl]methoxy]piperidine
CID 68618467
4-[(1R,2R)-2-[[3-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidine-1-carbonitrile
CID 89287555
4-[(1R,2R)-2-[[2-fluoro-4-(tetrazol-1-yl)phenyl]methoxymethyl]cyclopropyl]piperidine-1-carbonitrile
CID 90148912
4-ethoxy-2-(4-fluorophenyl)-1-[2-(1,2,4-triazol-1-yl)ethyl]-4H-quinoline
CID 122423892
1-[3-Fluoro-4-(methoxymethyl)phenyl]tetrazole
CID 122679441
1-[(5-Fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazin-1-ium
CID 9340183
1-[(5-Fluoro-2-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 9340184
1-[(3-Fluoro-4-methoxyphenyl)methyl]-4-(1-phenyltetrazol-5-yl)piperazine
CID 9463126
Benzyl 4-[[1-(4-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate
CID 30937425
Benzyl 4-[[1-(3-fluorophenyl)tetrazol-5-yl]methyl]piperazine-1-carboxylate
CID 30937734

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The IUPAC name of 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine (CID 133422212) is 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine.
What is the SMILES notation for 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The canonical SMILES for 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine is Cc1ccc(-n2nnnc2N2CCC(OCc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
The InChIKey is MEFXYCWRMACSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN5O/c1-15-2-8-18(9-3-15)26-20(22-23-24-26)25-12-10-19(11-13-25)27-14-16-4-6-17(21)7-5-16/h2-9,19H,10-14H2,1H3.
What are the key properties of 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine?
4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine has a molecular weight of 367.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)methoxy]-1-[1-(4-methylphenyl)tetrazol-5-yl]piperidine is sourced from PubChem (CID 133422212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).