1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine

C24H32N6O — CID 1446723

IUPAC1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
SMILESCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N6O/c1-5-22(24-25-26-27-30(24)17-20-9-11-21(31-4)12-10-20)28-13-15-29(16-14-28)23-8-6-7-18(2)19(23)3/h6-12,22H,5,13-17H2,1-4H3/t22-/m1/s1
InChIKeyANEVYSFZNGFIKR-JOCHJYFZSA-N
MW420.56 g/mol
LogP3.62
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine

1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine (PubChem CID 1446723) has the molecular formula C24H32N6O and a molecular weight of 420.56 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
PubChem CID1446723
Molecular FormulaC24H32N6O
Molecular Weight420.56 g/mol
Exact Mass420.26
IUPAC Name1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
SMILESCC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1
InChIInChI=1S/C24H32N6O/c1-5-22(24-25-26-27-30(24)17-20-9-11-21(31-4)12-10-20)28-13-15-29(16-14-28)23-8-6-7-18(2)19(23)3/h6-12,22H,5,13-17H2,1-4H3/t22-/m1/s1
InChIKeyANEVYSFZNGFIKR-JOCHJYFZSA-N
XLogP3.62
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine with MolForge

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446727
1-[(1R)-1-(1-benzyltetrazol-5-yl)-2-methylpropyl]-4-(2,3-dimethylphenyl)piperazine
CID 1446057
1-cyclohexyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446720
1-(2-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3209776
1-(2,3-dimethylphenyl)-4-[1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]butyl]piperazine
CID 43812373
1-(2,5-dimethylphenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 43812334
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 1446454
1-(4-fluorophenyl)-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 3675225
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
CID 51625966
1-[(1S)-1-(1-benzyltetrazol-5-yl)-3-methylbutyl]-4-(2-methoxyphenyl)piperazine
CID 1446106
1-(4-methoxyphenyl)-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446788
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine (CID 1446723) is 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine is CC[C@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(c2cccc(C)c2C)CC1.
What is the InChIKey of 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine?
The InChIKey is ANEVYSFZNGFIKR-JOCHJYFZSA-N. The full InChI is InChI=1S/C24H32N6O/c1-5-22(24-25-26-27-30(24)17-20-9-11-21(31-4)12-10-20)28-13-15-29(16-14-28)23-8-6-7-18(2)19(23)3/h6-12,22H,5,13-17H2,1-4H3/t22-/m1/s1.
What are the key properties of 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine?
1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine has a molecular weight of 420.56 g/mol, XLogP of 3.62, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 1446723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).