1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine

C19H30N6O2 — CID 645110

IUPAC1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3
InChIKeyGFWZJSORRYRAHN-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.60
Rot. Bonds9

About 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine

1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine (PubChem CID 645110) has the molecular formula C19H30N6O2 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine.

Molecular Properties

Compound Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine
PubChem CID645110
Molecular FormulaC19H30N6O2
Molecular Weight374.49 g/mol
Exact Mass374.24
IUPAC Name1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine
SMILESCCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1
InChIInChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3
InChIKeyGFWZJSORRYRAHN-UHFFFAOYSA-N
XLogP1.60
TPSA68.54 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The IUPAC name of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine (CID 645110) is 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine.
What is the SMILES notation for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The canonical SMILES for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine is CCC(c1nnnn1CCOC)N1CCN(Cc2ccccc2OC)CC1.
What is the InChIKey of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine?
The InChIKey is GFWZJSORRYRAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O2/c1-4-17(19-20-21-22-25(19)13-14-26-2)24-11-9-23(10-12-24)15-16-7-5-6-8-18(16)27-3/h5-8,17H,4,9-15H2,1-3H3.
What are the key properties of 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine?
1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine has a molecular weight of 374.49 g/mol, XLogP of 1.60, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methoxyethyl)tetrazol-5-yl]propyl]-4-[(2-methoxyphenyl)methyl]piperazine is sourced from PubChem (CID 645110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).