1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

C19H27FN6O — CID 3209548

IUPAC1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C19H27FN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h5-8,17-18H,2-4,9-14H2,1H3
InChIKeyWSAHAPJVRGJWRT-UHFFFAOYSA-N
MW374.46 g/mol
LogP1.72
Rot. Bonds6

About 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine

1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209548) has the molecular formula C19H27FN6O and a molecular weight of 374.46 g/mol. Its IUPAC name is 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209548
Molecular FormulaC19H27FN6O
Molecular Weight374.46 g/mol
Exact Mass374.22
IUPAC Name1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine
SMILESCCN1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1
InChIInChI=1S/C19H27FN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h5-8,17-18H,2-4,9-14H2,1H3
InChIKeyWSAHAPJVRGJWRT-UHFFFAOYSA-N
XLogP1.72
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(R)-(4-fluorophenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperidine
CID 861168
1-benzyl-4-[(R)-(4-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 51625706
1-[(S)-(3,4-dimethoxyphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 7396082
1-(4-fluorophenyl)-4-[(S)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine
CID 7389056
1-(4-fluorophenyl)-4-[(R)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]-phenylmethyl]piperazine
CID 7389059
5-[(R)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]-1-[[(2S)-oxolan-2-yl]methyl]tetrazole
CID 861323
1-[(R)-(2-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 1445953
1-cyclohexyl-4-[(S)-(4-methylphenyl)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]piperazine
CID 28670893
1-ethyl-4-[3-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 3209506
1-[(2,5-dimethoxyphenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 43812329
1-[(S)-(4-chlorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-cyclopentylpiperazine
CID 1445861
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine (CID 3209548) is 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is CCN1CCN(C(c2ccc(F)cc2)c2nnnn2CC2CCCO2)CC1.
What is the InChIKey of 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is WSAHAPJVRGJWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN6O/c1-2-24-9-11-25(12-10-24)18(15-5-7-16(20)8-6-15)19-21-22-23-26(19)14-17-4-3-13-27-17/h5-8,17-18H,2-4,9-14H2,1H3.
What are the key properties of 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine?
1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 374.46 g/mol, XLogP of 1.72, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(4-fluorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).