1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride

C16H25ClN6O — CID 6603646

IUPAC1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2;/h3-7,15H,8-13H2,1-2H3;1H
InChIKeyKGGMAWFYJOPHDZ-UHFFFAOYSA-N
MW352.87 g/mol
LogP1.08
Rot. Bonds6

About 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride

1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride (PubChem CID 6603646) has the molecular formula C16H25ClN6O and a molecular weight of 352.87 g/mol. Its IUPAC name is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride
PubChem CID6603646
Molecular FormulaC16H25ClN6O
Molecular Weight352.87 g/mol
Exact Mass352.18
IUPAC Name1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride
SMILESCOCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1.Cl
InChIInChI=1S/C16H24N6O.ClH/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2;/h3-7,15H,8-13H2,1-2H3;1H
InChIKeyKGGMAWFYJOPHDZ-UHFFFAOYSA-N
XLogP1.08
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride?
The IUPAC name of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride (CID 6603646) is 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride is COCCn1nnnc1C(c1ccccc1)N1CCN(C)CC1.Cl.
What is the InChIKey of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride?
The InChIKey is KGGMAWFYJOPHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O.ClH/c1-20-8-10-21(11-9-20)15(14-6-4-3-5-7-14)16-17-18-19-22(16)12-13-23-2;/h3-7,15H,8-13H2,1-2H3;1H.
What are the key properties of 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride?
1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 1.08, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-methoxyethyl)tetrazol-5-yl]-phenylmethyl]-4-methylpiperazine;hydrochloride is sourced from PubChem (CID 6603646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).