1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine

C21H26N6O — CID 1433890

IUPAC1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
SMILESCOc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-25-12-14-26(15-13-25)20(18-6-4-3-5-7-18)21-22-23-24-27(21)16-17-8-10-19(28-2)11-9-17/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1
InChIKeyLYMUUJQTHGOOEJ-HXUWFJFHSA-N
MW378.48 g/mol
LogP2.07
Rot. Bonds6

About 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine

1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine (PubChem CID 1433890) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
PubChem CID1433890
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
SMILESCOc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C)CC2)cc1
InChIInChI=1S/C21H26N6O/c1-25-12-14-26(15-13-25)20(18-6-4-3-5-7-18)21-22-23-24-27(21)16-17-8-10-19(28-2)11-9-17/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1
InChIKeyLYMUUJQTHGOOEJ-HXUWFJFHSA-N
XLogP2.07
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
2-[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 6557850
1-[(1S)-1-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-2-methylpropyl]-4-methylpiperazine
CID 1432518
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[(R)-(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]-4-methylpiperazine
CID 1446292
1-(4-methoxyphenyl)-4-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 1446855

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The IUPAC name of 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine (CID 1433890) is 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The canonical SMILES for 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine is COc1ccc(Cn2nnnc2[C@@H](c2ccccc2)N2CCN(C)CC2)cc1.
What is the InChIKey of 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
The InChIKey is LYMUUJQTHGOOEJ-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H26N6O/c1-25-12-14-26(15-13-25)20(18-6-4-3-5-7-18)21-22-23-24-27(21)16-17-8-10-19(28-2)11-9-17/h3-11,20H,12-16H2,1-2H3/t20-/m1/s1.
What are the key properties of 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine?
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine has a molecular weight of 378.48 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine is sourced from PubChem (CID 1433890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).