2-(4-butanimidoylpiperazin-1-yl)ethanol

C10H21N3O — CID 63179011

IUPAC2-(4-butanimidoylpiperazin-1-yl)ethanol
SMILES[H]/N=C(\CCC)N1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O/c1-2-3-10(11)13-6-4-12(5-7-13)8-9-14/h11,14H,2-9H2,1H3/b11-10+
InChIKeyNOJOVUHFYHPKRD-ZHACJKMWSA-N
MW199.30 g/mol
LogP0.37
Rot. Bonds4

About 2-(4-butanimidoylpiperazin-1-yl)ethanol

2-(4-butanimidoylpiperazin-1-yl)ethanol (PubChem CID 63179011) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(4-butanimidoylpiperazin-1-yl)ethanol.

Molecular Properties

Compound Name2-(4-butanimidoylpiperazin-1-yl)ethanol
PubChem CID63179011
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(4-butanimidoylpiperazin-1-yl)ethanol
SMILES[H]/N=C(\CCC)N1CCN(CCO)CC1
InChIInChI=1S/C10H21N3O/c1-2-3-10(11)13-6-4-12(5-7-13)8-9-14/h11,14H,2-9H2,1H3/b11-10+
InChIKeyNOJOVUHFYHPKRD-ZHACJKMWSA-N
XLogP0.37
TPSA50.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-(4-butanimidoylpiperazin-1-yl)ethanol?
The IUPAC name of 2-(4-butanimidoylpiperazin-1-yl)ethanol (CID 63179011) is 2-(4-butanimidoylpiperazin-1-yl)ethanol.
What is the SMILES notation for 2-(4-butanimidoylpiperazin-1-yl)ethanol?
The canonical SMILES for 2-(4-butanimidoylpiperazin-1-yl)ethanol is [H]/N=C(\CCC)N1CCN(CCO)CC1.
What is the InChIKey of 2-(4-butanimidoylpiperazin-1-yl)ethanol?
The InChIKey is NOJOVUHFYHPKRD-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-3-10(11)13-6-4-12(5-7-13)8-9-14/h11,14H,2-9H2,1H3/b11-10+.
What are the key properties of 2-(4-butanimidoylpiperazin-1-yl)ethanol?
2-(4-butanimidoylpiperazin-1-yl)ethanol has a molecular weight of 199.30 g/mol, XLogP of 0.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butanimidoylpiperazin-1-yl)ethanol is sourced from PubChem (CID 63179011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).