1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine

C26H33FN6O — CID 3209976

IUPAC1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H33FN6O/c1-34-24-13-7-20(8-14-24)19-33-26(28-29-30-33)25(21-9-11-22(27)12-10-21)32-17-15-31(16-18-32)23-5-3-2-4-6-23/h7-14,23,25H,2-6,15-19H2,1H3
InChIKeyKDQBJOPLHMMGGF-UHFFFAOYSA-N
MW464.59 g/mol
LogP3.91
Rot. Bonds7

About 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine

1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine (PubChem CID 3209976) has the molecular formula C26H33FN6O and a molecular weight of 464.59 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
PubChem CID3209976
Molecular FormulaC26H33FN6O
Molecular Weight464.59 g/mol
Exact Mass464.27
IUPAC Name1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
SMILESCOc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1
InChIInChI=1S/C26H33FN6O/c1-34-24-13-7-20(8-14-24)19-33-26(28-29-30-33)25(21-9-11-22(27)12-10-21)32-17-15-31(16-18-32)23-5-3-2-4-6-23/h7-14,23,25H,2-6,15-19H2,1H3
InChIKeyKDQBJOPLHMMGGF-UHFFFAOYSA-N
XLogP3.91
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-cyclohexyl-4-[(S)-(3,4-dimethoxyphenyl)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 1446680
1-[(1-benzyltetrazol-5-yl)-(4-fluorophenyl)methyl]-4-cyclohexylpiperazine
CID 3209694
1-(4-fluorophenyl)-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209982
1-(4-fluorophenyl)-4-[(4-methoxyphenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine
CID 3209998
1-cyclopentyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-(2-methoxyphenyl)methyl]piperazine;hydrochloride
CID 175654254
1-cyclohexyl-4-[(1R)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]piperazine
CID 1446772
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 3209334
1-cyclohexyl-4-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]propyl]piperazine
CID 1446720
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-cyclopentyl-4-[[1-[2-(3,4-dimethoxyphenyl)ethyl]tetrazol-5-yl]-(4-fluorophenyl)methyl]piperazine
CID 3210602
1-cyclohexyl-4-[(4-fluorophenyl)-[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
CID 53314085

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine (CID 3209976) is 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine is COc1ccc(Cn2nnnc2C(c2ccc(F)cc2)N2CCN(C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
The InChIKey is KDQBJOPLHMMGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33FN6O/c1-34-24-13-7-20(8-14-24)19-33-26(28-29-30-33)25(21-9-11-22(27)12-10-21)32-17-15-31(16-18-32)23-5-3-2-4-6-23/h7-14,23,25H,2-6,15-19H2,1H3.
What are the key properties of 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine?
1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine has a molecular weight of 464.59 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(4-fluorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).