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

C14H26N6O — CID 3209263

IUPAC1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N6O/c1-21-11-10-20-14(15-16-17-20)12-18-6-8-19(9-7-18)13-4-2-3-5-13/h13H,2-12H2,1H3
InChIKeyYKCBZWLOZGURNW-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.38
Rot. Bonds6

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

1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (PubChem CID 3209263) has the molecular formula C14H26N6O and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.

Molecular Properties

Compound Name1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
PubChem CID3209263
Molecular FormulaC14H26N6O
Molecular Weight294.40 g/mol
Exact Mass294.22
IUPAC Name1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine
SMILESCOCCn1nnnc1CN1CCN(C2CCCC2)CC1
InChIInChI=1S/C14H26N6O/c1-21-11-10-20-14(15-16-17-20)12-18-6-8-19(9-7-18)13-4-2-3-5-13/h13H,2-12H2,1H3
InChIKeyYKCBZWLOZGURNW-UHFFFAOYSA-N
XLogP0.38
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.38
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-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The IUPAC name of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine (CID 3209263) is 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine.
What is the SMILES notation for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The canonical SMILES for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is COCCn1nnnc1CN1CCN(C2CCCC2)CC1.
What is the InChIKey of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
The InChIKey is YKCBZWLOZGURNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N6O/c1-21-11-10-20-14(15-16-17-20)12-18-6-8-19(9-7-18)13-4-2-3-5-13/h13H,2-12H2,1H3.
What are the key properties of 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine?
1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine has a molecular weight of 294.40 g/mol, XLogP of 0.38, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-[[1-(2-methoxyethyl)tetrazol-5-yl]methyl]piperazine is sourced from PubChem (CID 3209263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).