1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

C18H20N6O — CID 675344

IUPAC1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H20N6O/c1-25-17-10-6-5-9-16(17)22-11-13-23(14-12-22)18-19-20-21-24(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyKEMACTNKXKIBMR-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.00
Rot. Bonds4

About 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine

1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (PubChem CID 675344) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
PubChem CID675344
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC Name1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine
SMILESCOc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1
InChIInChI=1S/C18H20N6O/c1-25-17-10-6-5-9-16(17)22-11-13-23(14-12-22)18-19-20-21-24(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3
InChIKeyKEMACTNKXKIBMR-UHFFFAOYSA-N
XLogP2.00
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(1-Phenyltetrazol-5-yl)piperazin-1-yl]phenol
CID 2419802
N,N-dimethyl-1-(4-phenoxyphenyl)-1H-1,2,3,4-tetraazol-5-amine
CID 1482504
1-(4-Methoxyphenyl)-4-[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 1438460
1-[(1-Cyclohexyltetrazol-5-yl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1442952
N-(3-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine-1-carboxamide
CID 1455276
1-[1-(1-Benzyl-1H-tetrazol-5-yl)-butyl]-4-(2-methoxy-phenyl)-piperazine
CID 6603051
1-(2-Methoxy-phenyl)-4-[(1-phenethyl-1H-tetrazol-5-yl)-phenyl-methyl]-piperazine
CID 9549369
1-(2-Methoxyphenyl)-4-[4-(1H-1,2,3,4-tetrazol-1-YL)benzenesulfonyl]piperazine
CID 16013879
2-N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]-1,3,5-triazine-2,4,6-triamine
CID 168282733
2-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1,3,5-triazine-2,4,6-triamine
CID 168288545
1-[(1-Butyltetrazol-5-yl)-phenylmethyl]-4-(2-methoxyphenyl)piperazine
CID 53300960
N-[(2-methoxyphenyl)methyl]-N-methyl-1-phenyltetrazol-5-amine
CID 2440731

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The IUPAC name of 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine (CID 675344) is 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine.
What is the SMILES notation for 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The canonical SMILES for 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is COc1ccccc1N1CCN(c2nnnn2-c2ccccc2)CC1.
What is the InChIKey of 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
The InChIKey is KEMACTNKXKIBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-25-17-10-6-5-9-16(17)22-11-13-23(14-12-22)18-19-20-21-24(18)15-7-3-2-4-8-15/h2-10H,11-14H2,1H3.
What are the key properties of 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine?
1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine has a molecular weight of 336.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-4-(1-phenyltetrazol-5-yl)piperazine is sourced from PubChem (CID 675344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).