4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide

C16H25N5 — CID 70058101

IUPAC4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2CNCCN2C2CCNCC2)cc1
InChIInChI=1S/C16H25N5/c17-16(18)13-3-1-12(2-4-13)15-11-20-9-10-21(15)14-5-7-19-8-6-14/h1-4,14-15,19-20H,5-11H2,(H3,17,18)
InChIKeyQUONVRQYFLDJCZ-UHFFFAOYSA-N
MW287.41 g/mol
LogP0.67
Rot. Bonds3

About 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide

4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide (PubChem CID 70058101) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide
PubChem CID70058101
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C2CNCCN2C2CCNCC2)cc1
InChIInChI=1S/C16H25N5/c17-16(18)13-3-1-12(2-4-13)15-11-20-9-10-21(15)14-5-7-19-8-6-14/h1-4,14-15,19-20H,5-11H2,(H3,17,18)
InChIKeyQUONVRQYFLDJCZ-UHFFFAOYSA-N
XLogP0.67
TPSA77.17 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 50.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide?
The IUPAC name of 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide (CID 70058101) is 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide.
What is the SMILES notation for 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide?
The canonical SMILES for 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C2CNCCN2C2CCNCC2)cc1.
What is the InChIKey of 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide?
The InChIKey is QUONVRQYFLDJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c17-16(18)13-3-1-12(2-4-13)15-11-20-9-10-21(15)14-5-7-19-8-6-14/h1-4,14-15,19-20H,5-11H2,(H3,17,18).
What are the key properties of 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide?
4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide has a molecular weight of 287.41 g/mol, XLogP of 0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-piperidin-4-ylpiperazin-2-yl)benzenecarboximidamide is sourced from PubChem (CID 70058101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).