1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

C16H26N6S — CID 1447705

IUPAC1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCN1CCN([C@@H](c2nnnn2Cc2cccs2)C(C)C)CC1
InChIInChI=1S/C16H26N6S/c1-4-20-7-9-21(10-8-20)15(13(2)3)16-17-18-19-22(16)12-14-6-5-11-23-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3/t15-/m1/s1
InChIKeyAZWDALDCAAZGOD-OAHLLOKOSA-N
MW334.49 g/mol
LogP2.12
Rot. Bonds6

About 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine

1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (PubChem CID 1447705) has the molecular formula C16H26N6S and a molecular weight of 334.49 g/mol. Its IUPAC name is 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
PubChem CID1447705
Molecular FormulaC16H26N6S
Molecular Weight334.49 g/mol
Exact Mass334.19
IUPAC Name1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine
SMILESCCN1CCN([C@@H](c2nnnn2Cc2cccs2)C(C)C)CC1
InChIInChI=1S/C16H26N6S/c1-4-20-7-9-21(10-8-20)15(13(2)3)16-17-18-19-22(16)12-14-6-5-11-23-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3/t15-/m1/s1
InChIKeyAZWDALDCAAZGOD-OAHLLOKOSA-N
XLogP2.12
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The IUPAC name of 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine (CID 1447705) is 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine.
What is the SMILES notation for 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The canonical SMILES for 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is CCN1CCN([C@@H](c2nnnn2Cc2cccs2)C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
The InChIKey is AZWDALDCAAZGOD-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H26N6S/c1-4-20-7-9-21(10-8-20)15(13(2)3)16-17-18-19-22(16)12-14-6-5-11-23-14/h5-6,11,13,15H,4,7-10,12H2,1-3H3/t15-/m1/s1.
What are the key properties of 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine?
1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine has a molecular weight of 334.49 g/mol, XLogP of 2.12, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(1R)-2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]piperazine is sourced from PubChem (CID 1447705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).