2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol

C11H25N3O2 — CID 61070861

IUPAC2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
SMILESNCCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C11H25N3O2/c12-2-1-3-13-4-6-14(7-5-13)8-10-16-11-9-15/h15H,1-12H2
InChIKeyPVUKHJQGVUKGNC-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.04
Rot. Bonds8

About 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol

2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol (PubChem CID 61070861) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
PubChem CID61070861
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol
SMILESNCCCN1CCN(CCOCCO)CC1
InChIInChI=1S/C11H25N3O2/c12-2-1-3-13-4-6-14(7-5-13)8-10-16-11-9-15/h15H,1-12H2
InChIKeyPVUKHJQGVUKGNC-UHFFFAOYSA-N
XLogP-1.04
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2-pyrrolidin-1-ylethoxy)ethanol
CID 10080651
3-[2-[4-(aminomethyl)piperazin-1-yl]ethoxy]propan-1-amine
CID 170951585
3-[4-[2-(3-methoxypropoxy)ethyl]piperazin-1-yl]propan-1-amine
CID 103178059
ethane;2-[2-(4-pentylpiperazin-1-yl)ethoxy]ethanol;tungsten
CID 156720121
3-[4-(3-aminopropyl)piperazin-1-yl]propan-1-amine;hydrochloride
CID 54610574
2-[4,7-bis(carboxymethyl)-10-[2-(2-hydroxyethoxy)ethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 19438545
3-[4-(2-ethoxyethyl)-1,4-diazepan-1-yl]propan-1-amine
CID 43457106
2-[2-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]ethoxy]acetic acid
CID 176958923
3-[4-[3-[4-[2-[2-[2-(2-prop-2-ynoxyethoxy)ethoxy]ethoxy]ethyl]piperazin-1-yl]propyl]piperazin-1-yl]propan-1-amine
CID 155396876
5-(2-pyrrolidin-1-ylethoxy)pentan-1-amine
CID 62458957
2-[1-[2-(2-aminoethoxy)ethyl]piperidin-4-yl]oxyethanol
CID 166715109
2-[3-(3-aminopropoxy)propoxy]ethanol
CID 87504728

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol?
The IUPAC name of 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol (CID 61070861) is 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol?
The canonical SMILES for 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol is NCCCN1CCN(CCOCCO)CC1.
What is the InChIKey of 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol?
The InChIKey is PVUKHJQGVUKGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c12-2-1-3-13-4-6-14(7-5-13)8-10-16-11-9-15/h15H,1-12H2.
What are the key properties of 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol?
2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol has a molecular weight of 231.34 g/mol, XLogP of -1.04, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(3-aminopropyl)piperazin-1-yl]ethoxy]ethanol is sourced from PubChem (CID 61070861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).