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

C19H28N6O — CID 1442952

IUPAC1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-26-18-9-7-16(8-10-18)24-13-11-23(12-14-24)15-19-20-21-22-25(19)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyBQNWBEWFDXEBMA-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.51
Rot. Bonds5

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

1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine (PubChem CID 1442952) 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-(4-methoxyphenyl)piperazine.

Molecular Properties

Compound Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
PubChem CID1442952
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
SMILESCOc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1
InChIInChI=1S/C19H28N6O/c1-26-18-9-7-16(8-10-18)24-13-11-23(12-14-24)15-19-20-21-22-25(19)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3
InChIKeyBQNWBEWFDXEBMA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-(2-methoxy-phenyl)-piperazine
CID 646026
1-[3-[4-(3,5-Dimethyl-1,2,4-triazol-4-yl)phenoxy]propyl]piperidine
CID 90654501
Ethyl 2-[5-[[4-(4-methoxyphenyl)piperazin-1-yl]methyl]tetrazol-1-yl]acetate
CID 1438461
1-(1-(4-methoxyphenyl)-1H-tetrazol-5-yl)-2,3,3-trimethyl-1,2,3,4-tetrahydroisoquinoline
CID 4519665
1-[(1-Cyclopentyl-1H-tetrazol-5-yl)-thiophen-2-yl-methyl]-4-(4-methoxy-phenyl)-piperazine
CID 646150
1-(4-Methoxy-phenyl)-4-[1-(1-phenethyl-1H-tetrazol-5-yl)-propyl]-piperazine
CID 646404
1-(4-Methoxy-phenyl)-4-[1-(1-thiophen-2-ylmethyl-1H-tetrazol-5-yl)-butyl]-piperazine
CID 647108
1-{[1-(4-Fluoro-benzyl)-1H-tetrazol-5-yl]-phenyl-methyl}-4-(4-methoxy-phenyl)-piperazine
CID 648069
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-butyl}-4-phenyl-piperazine
CID 651378
1-[(1-Cyclohexyl-1H-tetrazol-5-yl)-(4-methoxy-phenyl)-methyl]-4-(2-fluoro-phenyl)-piperazine
CID 651386
1-{1-[1-(4-Methoxy-benzyl)-1H-tetrazol-5-yl]-3-methyl-butyl}-4-phenyl-piperazine
CID 654297
1-[(2-Methoxyphenyl)-[1-(2-phenylethyl)-5-tetrazolyl]methyl]-4-phenylpiperazine
CID 656175

Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The IUPAC name of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine (CID 1442952) is 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine.
What is the SMILES notation for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The canonical SMILES for 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine is COc1ccc(N2CCN(Cc3nnnn3C3CCCCC3)CC2)cc1.
What is the InChIKey of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
The InChIKey is BQNWBEWFDXEBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-26-18-9-7-16(8-10-18)24-13-11-23(12-14-24)15-19-20-21-22-25(19)17-5-3-2-4-6-17/h7-10,17H,2-6,11-15H2,1H3.
What are the key properties of 1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine?
1-[(1-cyclohexyltetrazol-5-yl)methyl]-4-(4-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-(4-methoxyphenyl)piperazine is sourced from PubChem (CID 1442952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).