2-[4-(4-aminobutyl)piperazin-1-yl]ethanol

C10H23N3O — CID 7138432

IUPAC2-[4-(4-aminobutyl)piperazin-1-yl]ethanol
SMILESNCCCCN1CCN(CCO)CC1
InChIInChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2
InChIKeyTUKFFSGMQJSJQQ-UHFFFAOYSA-N
MW201.31 g/mol
LogP-0.66
Rot. Bonds6

About 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol

2-[4-(4-aminobutyl)piperazin-1-yl]ethanol (PubChem CID 7138432) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-aminobutyl)piperazin-1-yl]ethanol
PubChem CID7138432
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-[4-(4-aminobutyl)piperazin-1-yl]ethanol
SMILESNCCCCN1CCN(CCO)CC1
InChIInChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2
InChIKeyTUKFFSGMQJSJQQ-UHFFFAOYSA-N
XLogP-0.66
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol (CID 7138432) is 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol is NCCCCN1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol?
The InChIKey is TUKFFSGMQJSJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c11-3-1-2-4-12-5-7-13(8-6-12)9-10-14/h14H,1-11H2.
What are the key properties of 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol?
2-[4-(4-aminobutyl)piperazin-1-yl]ethanol has a molecular weight of 201.31 g/mol, XLogP of -0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminobutyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 7138432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).