3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

C25H32N6O — CID 154929883

IUPAC3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)(C)n1nnnc1C(c1cccc(O)c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C25H32N6O/c1-25(2,3)31-24(26-27-28-31)23(21-12-7-13-22(32)19-21)30-17-15-29(16-18-30)14-8-11-20-9-5-4-6-10-20/h4-13,19,23,32H,14-18H2,1-3H3
InChIKeyMOQYEPGALFDGFC-UHFFFAOYSA-N
MW432.57 g/mol
LogP3.55
Rot. Bonds6

About 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol

3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (PubChem CID 154929883) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
PubChem CID154929883
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
SMILESCC(C)(C)n1nnnc1C(c1cccc(O)c1)N1CCN(CC=Cc2ccccc2)CC1
InChIInChI=1S/C25H32N6O/c1-25(2,3)31-24(26-27-28-31)23(21-12-7-13-22(32)19-21)30-17-15-29(16-18-30)14-8-11-20-9-5-4-6-10-20/h4-13,19,23,32H,14-18H2,1-3H3
InChIKeyMOQYEPGALFDGFC-UHFFFAOYSA-N
XLogP3.55
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol with MolForge

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Related Compounds

1-(3-phenylprop-2-enyl)-4-[(R)-phenyl-[1-(2,4,4-trimethylpentan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 91200243
1-[(S)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine;1-[(R)-phenyl-(1-propan-2-yltetrazol-5-yl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 160503508
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68692949
1-[(S)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91353882
4-[2-[4-[(1-tert-butyltetrazol-5-yl)-phenylmethyl]piperazin-1-yl]ethyl]morpholine
CID 53300936
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-[3-(trifluoromethyl)phenyl]methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 68695281
1-[(S)-(1-tert-butyltetrazol-5-yl)-cyclohexa-2,4-dien-1-ylmethyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 89102822
1-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(3-phenoxyphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11692533
1-benzhydryl-4-[(E)-3-phenylprop-2-enyl]piperazine;dihydrochloride
CID 6444556
1-[(R)-(1-tert-butyltetrazol-5-yl)-phenylmethyl]-4-phenylpiperazine
CID 1443802
1-[(3,4-difluorophenyl)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 11691827
1-[(R)-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-(4-methylphenyl)methyl]-4-(3-phenylprop-2-enyl)piperazine
CID 91551545

Frequently Asked Questions

What is the IUPAC name of 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The IUPAC name of 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol (CID 154929883) is 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The canonical SMILES for 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is CC(C)(C)n1nnnc1C(c1cccc(O)c1)N1CCN(CC=Cc2ccccc2)CC1.
What is the InChIKey of 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
The InChIKey is MOQYEPGALFDGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-25(2,3)31-24(26-27-28-31)23(21-12-7-13-22(32)19-21)30-17-15-29(16-18-30)14-8-11-20-9-5-4-6-10-20/h4-13,19,23,32H,14-18H2,1-3H3.
What are the key properties of 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol?
3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol has a molecular weight of 432.57 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-tert-butyltetrazol-5-yl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol is sourced from PubChem (CID 154929883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).