3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol

C11H25N3O2 — CID 174186305

IUPAC3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol
SMILESOCCCNCCN1CCN(CCO)CC1
InChIInChI=1S/C11H25N3O2/c15-10-1-2-12-3-4-13-5-7-14(8-6-13)9-11-16/h12,15-16H,1-11H2
InChIKeyCNHQRELWOGFCSK-UHFFFAOYSA-N
MW231.34 g/mol
LogP-1.43
Rot. Bonds8

About 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol

3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol (PubChem CID 174186305) has the molecular formula C11H25N3O2 and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol.

Molecular Properties

Compound Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol
PubChem CID174186305
Molecular FormulaC11H25N3O2
Molecular Weight231.34 g/mol
Exact Mass231.19
IUPAC Name3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol
SMILESOCCCNCCN1CCN(CCO)CC1
InChIInChI=1S/C11H25N3O2/c15-10-1-2-12-3-4-13-5-7-14(8-6-13)9-11-16/h12,15-16H,1-11H2
InChIKeyCNHQRELWOGFCSK-UHFFFAOYSA-N
XLogP-1.43
TPSA58.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 5-1.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2-piperidin-1-ylethylamino)propan-1-ol
CID 53211307
5-(2-piperidin-1-ylethylamino)pentan-1-ol
CID 62227725
2-[4-[2-[4,7-bis(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethyl]-7-(2-hydroxyethyl)-1,4,7-triazonan-1-yl]ethanol
CID 18512424
N-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propyl]formamide
CID 87601203
3-(aziridin-1-yl)-N-(2-piperazin-1-ylethyl)propan-1-amine
CID 544912
2-[3-(azepan-1-yl)propylamino]ethanol
CID 53216056
2-pyrrolidin-1-yl-N-(2-pyrrolidin-1-ylethyl)ethanamine
CID 19869583
2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol;[4-(hydroxymethyl)piperazin-1-yl]methanol
CID 69172076
5-(3-morpholin-4-ylpropylamino)pentan-1-ol
CID 62227528
2-[4-(3-pyrrolidin-1-ylpropyl)piperazin-1-yl]ethanol
CID 62021526
N'-[2-[4-(6-aminohexyl)piperazin-1-yl]ethyl]hexane-1,6-diamine
CID 155822659
N'-[2-[4-(2-aminoethyl)piperazin-1-yl]ethyl]ethane-1,2-diamine;dihydrochloride
CID 86346365

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol?
The IUPAC name of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol (CID 174186305) is 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol.
What is the SMILES notation for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol?
The canonical SMILES for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol is OCCCNCCN1CCN(CCO)CC1.
What is the InChIKey of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol?
The InChIKey is CNHQRELWOGFCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O2/c15-10-1-2-12-3-4-13-5-7-14(8-6-13)9-11-16/h12,15-16H,1-11H2.
What are the key properties of 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol?
3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol has a molecular weight of 231.34 g/mol, XLogP of -1.43, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(2-hydroxyethyl)piperazin-1-yl]ethylamino]propan-1-ol is sourced from PubChem (CID 174186305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).