1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine

C20H26N6S — CID 653741

IUPAC1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6S/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16,19H,10-13,15H2,1-2H3
InChIKeyXGKYNEUMKMXBBW-UHFFFAOYSA-N
MW382.54 g/mol
LogP3.30
Rot. Bonds6

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

1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine (PubChem CID 653741) has the molecular formula C20H26N6S and a molecular weight of 382.54 g/mol. Its IUPAC name is 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine
PubChem CID653741
Molecular FormulaC20H26N6S
Molecular Weight382.54 g/mol
Exact Mass382.19
IUPAC Name1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine
SMILESCC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C20H26N6S/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16,19H,10-13,15H2,1-2H3
InChIKeyXGKYNEUMKMXBBW-UHFFFAOYSA-N
XLogP3.30
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.54
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine (CID 653741) is 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine is CC(C)C(c1nnnn1Cc1cccs1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine?
The InChIKey is XGKYNEUMKMXBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6S/c1-16(2)19(20-21-22-23-26(20)15-18-9-6-14-27-18)25-12-10-24(11-13-25)17-7-4-3-5-8-17/h3-9,14,16,19H,10-13,15H2,1-2H3.
What are the key properties of 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine?
1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine has a molecular weight of 382.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-methyl-1-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]propyl]-4-phenylpiperazine is sourced from PubChem (CID 653741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).