1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine

C18H26N6 — CID 653777

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-3-7-16(8-4-1)23-13-11-22(12-14-23)15-18-19-20-21-24(18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyKHESERIAXQGYQN-UHFFFAOYSA-N
MW326.45 g/mol
LogP2.50
Rot. Bonds4

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine (PubChem CID 653777) has the molecular formula C18H26N6 and a molecular weight of 326.45 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine
PubChem CID653777
Molecular FormulaC18H26N6
Molecular Weight326.45 g/mol
Exact Mass326.22
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine
SMILESc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C18H26N6/c1-3-7-16(8-4-1)23-13-11-22(12-14-23)15-18-19-20-21-24(18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2
InChIKeyKHESERIAXQGYQN-UHFFFAOYSA-N
XLogP2.50
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine (CID 653777) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine is c1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine?
The InChIKey is KHESERIAXQGYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6/c1-3-7-16(8-4-1)23-13-11-22(12-14-23)15-18-19-20-21-24(18)17-9-5-2-6-10-17/h1,3-4,7-8,17H,2,5-6,9-15H2.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine has a molecular weight of 326.45 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-phenylpiperazine is sourced from PubChem (CID 653777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).