1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine

C23H30N6O — CID 7396399

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(CC)CC2)cc1
InChIInChI=1S/C23H30N6O/c1-3-27-14-16-28(17-15-27)22(20-10-12-21(13-11-20)30-4-2)23-24-25-26-29(23)18-19-8-6-5-7-9-19/h5-13,22H,3-4,14-18H2,1-2H3/t22-/m1/s1
InChIKeyGZXCNNXDUSFSFO-JOCHJYFZSA-N
MW406.53 g/mol
LogP2.85
Rot. Bonds8

About 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine

1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine (PubChem CID 7396399) has the molecular formula C23H30N6O and a molecular weight of 406.53 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
PubChem CID7396399
Molecular FormulaC23H30N6O
Molecular Weight406.53 g/mol
Exact Mass406.25
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
SMILESCCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(CC)CC2)cc1
InChIInChI=1S/C23H30N6O/c1-3-27-14-16-28(17-15-27)22(20-10-12-21(13-11-20)30-4-2)23-24-25-26-29(23)18-19-8-6-5-7-9-19/h5-13,22H,3-4,14-18H2,1-2H3/t22-/m1/s1
InChIKeyGZXCNNXDUSFSFO-JOCHJYFZSA-N
XLogP2.85
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine
CID 3209721
1-[(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-phenylpiperazine;hydrochloride
CID 171668386
1-benzyl-4-[(S)-(4-ethoxyphenyl)-[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
CID 51625692
1-[(S)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-cyclohexylpiperazine
CID 1446271
1-benzyl-4-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]piperazine
CID 1446262
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-benzyl-4-[(R)-(4-ethoxyphenyl)-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]piperazine
CID 51625627
1-[(4-ethoxyphenyl)-[1-(2-phenylethyl)tetrazol-5-yl]methyl]-4-methylpiperazine;hydrochloride
CID 175654297
1-benzyl-4-[[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-(4-methylphenyl)methyl]piperazine
CID 3209973
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
CID 51685867
1-[(R)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-phenylpiperazine
CID 1446248

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine (CID 7396399) is 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine is CCOc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CCN(CC)CC2)cc1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine?
The InChIKey is GZXCNNXDUSFSFO-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N6O/c1-3-27-14-16-28(17-15-27)22(20-10-12-21(13-11-20)30-4-2)23-24-25-26-29(23)18-19-8-6-5-7-9-19/h5-13,22H,3-4,14-18H2,1-2H3/t22-/m1/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine has a molecular weight of 406.53 g/mol, XLogP of 2.85, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine is sourced from PubChem (CID 7396399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).