1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine

C26H34N6O — CID 3209708

IUPAC1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H34N6O/c1-33-24-14-12-22(13-15-24)25(26-27-28-29-32(26)20-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23,25H,3,6-7,10-11,16-20H2,1H3
InChIKeyBBWRCOBWMOERQI-UHFFFAOYSA-N
MW446.60 g/mol
LogP3.77
Rot. Bonds7

About 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine

1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine (PubChem CID 3209708) has the molecular formula C26H34N6O and a molecular weight of 446.60 g/mol. Its IUPAC name is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine.

Molecular Properties

Compound Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine
PubChem CID3209708
Molecular FormulaC26H34N6O
Molecular Weight446.60 g/mol
Exact Mass446.28
IUPAC Name1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine
SMILESCOc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H34N6O/c1-33-24-14-12-22(13-15-24)25(26-27-28-29-32(26)20-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23,25H,3,6-7,10-11,16-20H2,1H3
InChIKeyBBWRCOBWMOERQI-UHFFFAOYSA-N
XLogP3.77
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine?
The IUPAC name of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine (CID 3209708) is 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine.
What is the SMILES notation for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine?
The canonical SMILES for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine is COc1ccc(C(c2nnnn2Cc2ccccc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine?
The InChIKey is BBWRCOBWMOERQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N6O/c1-33-24-14-12-22(13-15-24)25(26-27-28-29-32(26)20-21-8-4-2-5-9-21)31-18-16-30(17-19-31)23-10-6-3-7-11-23/h2,4-5,8-9,12-15,23,25H,3,6-7,10-11,16-20H2,1H3.
What are the key properties of 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine?
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine has a molecular weight of 446.60 g/mol, XLogP of 3.77, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclohexylpiperazine is sourced from PubChem (CID 3209708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).