2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide

C14H28N4O — CID 77012139

IUPAC2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-2-13(14(15)16-19)18-9-7-17(8-10-18)11-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3,(H2,15,16)
InChIKeyXEGVRSBGONGNIL-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.32
Rot. Bonds5

About 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide

2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (PubChem CID 77012139) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.

Molecular Properties

Compound Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
PubChem CID77012139
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide
SMILESCCC(C(N)=NO)N1CCN(CC2CCCC2)CC1
InChIInChI=1S/C14H28N4O/c1-2-13(14(15)16-19)18-9-7-17(8-10-18)11-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3,(H2,15,16)
InChIKeyXEGVRSBGONGNIL-UHFFFAOYSA-N
XLogP1.32
TPSA65.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The IUPAC name of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide (CID 77012139) is 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide.
What is the SMILES notation for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The canonical SMILES for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is CCC(C(N)=NO)N1CCN(CC2CCCC2)CC1.
What is the InChIKey of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
The InChIKey is XEGVRSBGONGNIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-2-13(14(15)16-19)18-9-7-17(8-10-18)11-12-5-3-4-6-12/h12-13,19H,2-11H2,1H3,(H2,15,16).
What are the key properties of 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide?
2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide has a molecular weight of 268.40 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentylmethyl)piperazin-1-yl]-N'-hydroxybutanimidamide is sourced from PubChem (CID 77012139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).