1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine

C19H24N6S — CID 51685867

IUPAC1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(17-9-6-14-26-17)19-20-21-22-25(19)15-16-7-4-3-5-8-16/h3-9,14,18H,2,10-13,15H2,1H3/t18-/m0/s1
InChIKeyQIXQMLPVGOAVKY-SFHVURJKSA-N
MW368.51 g/mol
LogP2.51
Rot. Bonds6

About 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine

1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine (PubChem CID 51685867) has the molecular formula C19H24N6S and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
PubChem CID51685867
Molecular FormulaC19H24N6S
Molecular Weight368.51 g/mol
Exact Mass368.18
IUPAC Name1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine
SMILESCCN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1
InChIInChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(17-9-6-14-26-17)19-20-21-22-25(19)15-16-7-4-3-5-8-16/h3-9,14,18H,2,10-13,15H2,1H3/t18-/m0/s1
InChIKeyQIXQMLPVGOAVKY-SFHVURJKSA-N
XLogP2.51
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-ethyl-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 51685873
1-[(S)-(1-benzyltetrazol-5-yl)-(4-methoxyphenyl)methyl]-4-ethylpiperazine
CID 7396387
1-[1-(1-benzyltetrazol-5-yl)propyl]-4-ethylpiperazine;hydrochloride
CID 171668375
1-[(R)-(1-benzyltetrazol-5-yl)-(4-ethoxyphenyl)methyl]-4-ethylpiperazine
CID 7396399
1-ethyl-4-[[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-phenylmethyl]piperazine;hydrochloride
CID 171669823
1-benzyl-4-[(1-tert-butyltetrazol-5-yl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 6603093
1-[(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3193439
1-(4-fluorophenyl)-4-[(S)-[1-[(4-fluorophenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]piperazine
CID 1438452
1-[(1-benzyltetrazol-5-yl)-(2,3-dimethoxyphenyl)methyl]-4-ethylpiperazine;hydrochloride
CID 171668406
4-[(S)-[1-[(4-methoxyphenyl)methyl]tetrazol-5-yl]-thiophen-2-ylmethyl]thiomorpholine
CID 1432179
1-[(R)-(1-benzyltetrazol-5-yl)-phenylmethyl]-4-(pyridin-4-ylmethyl)piperazine
CID 1446160
1-benzyl-4-[(1-benzyltetrazol-5-yl)-(2-methoxyphenyl)methyl]piperazine
CID 3209730

Frequently Asked Questions

What is the IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine?
The IUPAC name of 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine (CID 51685867) is 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine?
The canonical SMILES for 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine is CCN1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccccc2)CC1.
What is the InChIKey of 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine?
The InChIKey is QIXQMLPVGOAVKY-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N6S/c1-2-23-10-12-24(13-11-23)18(17-9-6-14-26-17)19-20-21-22-25(19)15-16-7-4-3-5-8-16/h3-9,14,18H,2,10-13,15H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine?
1-[(R)-(1-benzyltetrazol-5-yl)-thiophen-2-ylmethyl]-4-ethylpiperazine has a molecular weight of 368.51 g/mol, XLogP of 2.51, 6 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)-thiophen-2-ylmethyl]-4-ethylpiperazine is sourced from PubChem (CID 51685867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).