1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine

C25H34N6O — CID 51625966

IUPAC1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N6O/c1-3-4-10-24(30-17-15-29(16-18-30)19-21-8-6-5-7-9-21)25-26-27-28-31(25)20-22-11-13-23(32-2)14-12-22/h5-9,11-14,24H,3-4,10,15-20H2,1-2H3/t24-/m0/s1
InChIKeySBHWSRKBRYGJTH-DEOSSOPVSA-N
MW434.59 g/mol
LogP3.78
Rot. Bonds10

About 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine

1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine (PubChem CID 51625966) has the molecular formula C25H34N6O and a molecular weight of 434.59 g/mol. Its IUPAC name is 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine.

Molecular Properties

Compound Name1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
PubChem CID51625966
Molecular FormulaC25H34N6O
Molecular Weight434.59 g/mol
Exact Mass434.28
IUPAC Name1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine
SMILESCCCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C25H34N6O/c1-3-4-10-24(30-17-15-29(16-18-30)19-21-8-6-5-7-9-21)25-26-27-28-31(25)20-22-11-13-23(32-2)14-12-22/h5-9,11-14,24H,3-4,10,15-20H2,1-2H3/t24-/m0/s1
InChIKeySBHWSRKBRYGJTH-DEOSSOPVSA-N
XLogP3.78
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.59
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-4-[1-(1-benzyltetrazol-5-yl)butyl]piperazine
CID 3209635
1-benzyl-4-[1-[1-(2-methoxyethyl)tetrazol-5-yl]pentyl]piperazine chloride
CID 53314022
1-benzyl-4-[1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]piperazine
CID 43812335
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-[(1S)-1-(1-benzyltetrazol-5-yl)pentyl]-4-(2-fluorophenyl)piperazine
CID 7389173
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[(1R)-1-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]butyl]-4-(4-methoxyphenyl)piperazine
CID 1446454
furan-2-yl-[4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446743
furan-2-yl-[4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]butyl]piperazin-1-yl]methanone
CID 1446745
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2,4-dimethoxyphenyl)methyl]piperazine
CID 3209737
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine?
The IUPAC name of 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine (CID 51625966) is 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine.
What is the SMILES notation for 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine?
The canonical SMILES for 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine is CCCC[C@@H](c1nnnn1Cc1ccc(OC)cc1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine?
The InChIKey is SBHWSRKBRYGJTH-DEOSSOPVSA-N. The full InChI is InChI=1S/C25H34N6O/c1-3-4-10-24(30-17-15-29(16-18-30)19-21-8-6-5-7-9-21)25-26-27-28-31(25)20-22-11-13-23(32-2)14-12-22/h5-9,11-14,24H,3-4,10,15-20H2,1-2H3/t24-/m0/s1.
What are the key properties of 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine?
1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine has a molecular weight of 434.59 g/mol, XLogP of 3.78, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]pentyl]piperazine is sourced from PubChem (CID 51625966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).