2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

C18H32N6 — CID 56913020

IUPAC2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCN1CCCC(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1
InChIInChI=1S/C18H32N6/c1-21-5-2-3-16(13-21)14-22-7-9-23(10-8-22)15-17-11-18-12-19-4-6-24(18)20-17/h11,16,19H,2-10,12-15H2,1H3
InChIKeyARHRKWBZRFTZNZ-UHFFFAOYSA-N
MW332.50 g/mol
LogP0.45
Rot. Bonds4

About 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (PubChem CID 56913020) has the molecular formula C18H32N6 and a molecular weight of 332.50 g/mol. Its IUPAC name is 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
PubChem CID56913020
Molecular FormulaC18H32N6
Molecular Weight332.50 g/mol
Exact Mass332.27
IUPAC Name2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine
SMILESCN1CCCC(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1
InChIInChI=1S/C18H32N6/c1-21-5-2-3-16(13-21)14-22-7-9-23(10-8-22)15-17-11-18-12-19-4-6-24(18)20-17/h11,16,19H,2-10,12-15H2,1H3
InChIKeyARHRKWBZRFTZNZ-UHFFFAOYSA-N
XLogP0.45
TPSA39.57 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.50
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine (CID 56913020) is 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is CN1CCCC(CN2CCN(Cc3cc4n(n3)CCNC4)CC2)C1.
What is the InChIKey of 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
The InChIKey is ARHRKWBZRFTZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N6/c1-21-5-2-3-16(13-21)14-22-7-9-23(10-8-22)15-17-11-18-12-19-4-6-24(18)20-17/h11,16,19H,2-10,12-15H2,1H3.
What are the key properties of 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine?
2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine has a molecular weight of 332.50 g/mol, XLogP of 0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(1-methylpiperidin-3-yl)methyl]piperazin-1-yl]methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 56913020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).