1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine

C18H24FN5O — CID 861168

IUPAC1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
SMILESFc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCCCC2)cc1
InChIInChI=1S/C18H24FN5O/c19-15-8-6-14(7-9-15)17(23-10-2-1-3-11-23)18-20-21-22-24(18)13-16-5-4-12-25-16/h6-9,16-17H,1-5,10-13H2/t16-,17-/m1/s1
InChIKeyNOBMMMGQBYPYPB-IAGOWNOFSA-N
MW345.42 g/mol
LogP2.57
Rot. Bonds5

About 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine

1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine (PubChem CID 861168) has the molecular formula C18H24FN5O and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine.

Molecular Properties

Compound Name1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
PubChem CID861168
Molecular FormulaC18H24FN5O
Molecular Weight345.42 g/mol
Exact Mass345.20
IUPAC Name1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
SMILESFc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCCCC2)cc1
InChIInChI=1S/C18H24FN5O/c19-15-8-6-14(7-9-15)17(23-10-2-1-3-11-23)18-20-21-22-24(18)13-16-5-4-12-25-16/h6-9,16-17H,1-5,10-13H2/t16-,17-/m1/s1
InChIKeyNOBMMMGQBYPYPB-IAGOWNOFSA-N
XLogP2.57
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
CID 3209548
5-[(R)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]-1-[[(2S)-oxolan-2-yl]methyl]tetrazole
CID 861323
1-benzyl-4-[(R)-(4-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625706
1-(4-fluorophenyl)-4-[(R)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine
CID 7389059
1-(4-fluorophenyl)-4-[(S)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine
CID 7389056
1-cyclohexyl-4-[(S)-(4-methylphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 28670893
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861
1-(4-fluorophenyl)-4-[(1R)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]piperazine
CID 7388868
1-(4-fluorophenyl)-4-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine;hydrochloride
CID 171668338
N-[(S)-(4-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-N-methylaniline
CID 1375153
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682
1-[(S)-(3,4-dimethoxyphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 7396082

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine?
The IUPAC name of 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine (CID 861168) is 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine.
What is the SMILES notation for 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine?
The canonical SMILES for 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine is Fc1ccc([C@H](c2nnnn2C[C@H]2CCCO2)N2CCCCC2)cc1.
What is the InChIKey of 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine?
The InChIKey is NOBMMMGQBYPYPB-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H24FN5O/c19-15-8-6-14(7-9-15)17(23-10-2-1-3-11-23)18-20-21-22-24(18)13-16-5-4-12-25-16/h6-9,16-17H,1-5,10-13H2/t16-,17-/m1/s1.
What are the key properties of 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine?
1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine has a molecular weight of 345.42 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine is sourced from PubChem (CID 861168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).