1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine

C20H30N6O — CID 7388864

IUPAC1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N6O/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyAEGZEFHWBRJXEF-RTBURBONSA-N
MW370.50 g/mol
LogP2.37
Rot. Bonds6

About 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine

1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine (PubChem CID 7388864) has the molecular formula C20H30N6O and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
PubChem CID7388864
Molecular FormulaC20H30N6O
Molecular Weight370.50 g/mol
Exact Mass370.25
IUPAC Name1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H30N6O/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3/t18-,19-/m1/s1
InChIKeyAEGZEFHWBRJXEF-RTBURBONSA-N
XLogP2.37
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine with MolForge

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Related Compounds

1-[(1S)-2-methyl-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine
CID 7388858
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
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
1-[(1S)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]-4-phenylpiperazin-1-ium
CID 7388793
1-(4-fluorophenyl)-4-[1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
CID 23913682
1-(4-fluorophenyl)-4-[(1R)-1-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388814
2-methyl-1-[2-methyl-1-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]propyl]-2,3-dihydroindole
CID 23771389
1-(2-methoxyphenyl)-4-[(1R)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 51685928
1-[(S)-(2-fluorophenyl)-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium
CID 7389080
1-(2,3-dimethylphenyl)-4-[(1S)-3-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]butyl]piperazine
CID 7388935

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine (CID 7388864) is 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine is CC(C)[C@H](c1nnnn1C[C@H]1CCCO1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
The InChIKey is AEGZEFHWBRJXEF-RTBURBONSA-N. The full InChI is InChI=1S/C20H30N6O/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-5,7-8,16,18-19H,6,9-15H2,1-2H3/t18-,19-/m1/s1.
What are the key properties of 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine?
1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine has a molecular weight of 370.50 g/mol, XLogP of 2.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-methyl-1-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 7388864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).