1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine

C19H28N6O — CID 3208561

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N6O/c1-26-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19-20-21-22-25(19)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3
InChIKeyLBPQZXZDKATZAP-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.51
Rot. Bonds5

About 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine (PubChem CID 3208561) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine
PubChem CID3208561
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine
SMILESCOc1cccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1
InChIInChI=1S/C19H28N6O/c1-26-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19-20-21-22-25(19)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3
InChIKeyLBPQZXZDKATZAP-UHFFFAOYSA-N
XLogP2.51
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine (CID 3208561) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine is COc1cccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)c1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine?
The InChIKey is LBPQZXZDKATZAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-26-18-9-5-8-17(14-18)24-12-10-23(11-13-24)15-19-20-21-22-25(19)16-6-3-2-4-7-16/h5,8-9,14,16H,2-4,6-7,10-13,15H2,1H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine has a molecular weight of 356.47 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(3-methoxyphenyl)piperazine is sourced from PubChem (CID 3208561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).