1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine

C22H28N6O — CID 7396387

IUPAC1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N6O/c1-3-26-13-15-27(16-14-26)21(19-9-11-20(29-2)12-10-19)22-23-24-25-28(22)17-18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1
InChIKeyBHFGKYHUKWGFRF-NRFANRHFSA-N
MW392.51 g/mol
LogP2.46
Rot. Bonds7

About 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine

1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine (PubChem CID 7396387) has the molecular formula C22H28N6O and a molecular weight of 392.51 g/mol. Its IUPAC name is 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
PubChem CID7396387
Molecular FormulaC22H28N6O
Molecular Weight392.51 g/mol
Exact Mass392.23
IUPAC Name1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C22H28N6O/c1-3-26-13-15-27(16-14-26)21(19-9-11-20(29-2)12-10-19)22-23-24-25-28(22)17-18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1
InChIKeyBHFGKYHUKWGFRF-NRFANRHFSA-N
XLogP2.46
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
CID 7396399
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-(4-methoxyphenyl)piperazine
CID 1446260
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248
1-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433889
1-[(R)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine
CID 1433890
1-[(S)-(2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]methyl]-4-ethylpiperazine
CID 51685587
2-[4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazin-1-yl]pyrimidine
CID 6557850
1-ethyl-4-[(R)-[1-(furan-2-ylmethyl)tetrazol-5-yl]-(4-methoxyphenyl)methyl]piperazine
CID 51686019
1-[(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-cyclopentylpiperazine
CID 3209716
1-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-phenylmethyl]-4-phenylpiperazine
CID 3209960

Frequently Asked Questions

What is the IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine (CID 7396387) is 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine is CCN1CCN([C@@H](c2ccc(OC)cc2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine?
The InChIKey is BHFGKYHUKWGFRF-NRFANRHFSA-N. The full InChI is InChI=1S/C22H28N6O/c1-3-26-13-15-27(16-14-26)21(19-9-11-20(29-2)12-10-19)22-23-24-25-28(22)17-18-7-5-4-6-8-18/h4-12,21H,3,13-17H2,1-2H3/t21-/m0/s1.
What are the key properties of 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine?
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine has a molecular weight of 392.51 g/mol, XLogP of 2.46, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 7396387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).