1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride

C16H24ClN6O- — CID 53314125

IUPAC1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
SMILES[Cl-].c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H/p-1
InChIKeyWJOLYNPEYCWJAP-UHFFFAOYSA-M
MW351.86 g/mol
LogP-1.62
Rot. Bonds5

About 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride

1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride (PubChem CID 53314125) has the molecular formula C16H24ClN6O- and a molecular weight of 351.86 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
PubChem CID53314125
Molecular FormulaC16H24ClN6O-
Molecular Weight351.86 g/mol
Exact Mass351.17
IUPAC Name1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride
SMILES[Cl-].c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1
InChIInChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H/p-1
InChIKeyWJOLYNPEYCWJAP-UHFFFAOYSA-M
XLogP-1.62
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 5-1.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The IUPAC name of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride (CID 53314125) is 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The canonical SMILES for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride is [Cl-].c1coc(Cn2nnnc2CN2CCN(C3CCCC3)CC2)c1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
The InChIKey is WJOLYNPEYCWJAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H24N6O.ClH/c1-2-5-14(4-1)21-9-7-20(8-10-21)13-16-17-18-19-22(16)12-15-6-3-11-23-15;/h3,6,11,14H,1-2,4-5,7-10,12-13H2;1H/p-1.
What are the key properties of 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride?
1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride has a molecular weight of 351.86 g/mol, XLogP of -1.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(furan-2-ylmethyl)tetrazol-5-yl]methyl]piperazine chloride is sourced from PubChem (CID 53314125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).