2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane

C15H35N3O2 — CID 168901752

IUPAC2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
SMILESCC.CC.OCCN1CCN(CCOC2CNC2)CC1
InChIInChI=1S/C11H23N3O2.2C2H6/c15-7-5-13-1-3-14(4-2-13)6-8-16-11-9-12-10-11;2*1-2/h11-12,15H,1-10H2;2*1-2H3
InChIKeyBCZVMEAWXXMHDH-UHFFFAOYSA-N
MW289.46 g/mol
LogP0.64
Rot. Bonds6

About 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane

2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane (PubChem CID 168901752) has the molecular formula C15H35N3O2 and a molecular weight of 289.46 g/mol. Its IUPAC name is 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane.

Molecular Properties

Compound Name2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
PubChem CID168901752
Molecular FormulaC15H35N3O2
Molecular Weight289.46 g/mol
Exact Mass289.27
IUPAC Name2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
SMILESCC.CC.OCCN1CCN(CCOC2CNC2)CC1
InChIInChI=1S/C11H23N3O2.2C2H6/c15-7-5-13-1-3-14(4-2-13)6-8-16-11-9-12-10-11;2*1-2/h11-12,15H,1-10H2;2*1-2H3
InChIKeyBCZVMEAWXXMHDH-UHFFFAOYSA-N
XLogP0.64
TPSA47.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane
CID 156729324
2-[4-(2-hydroxyethoxy)piperidin-1-yl]ethanol
CID 115771078
2-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)ethanol;ethane
CID 169000293
ethane;2-(4-methylpiperazin-1-yl)ethanol;vanadium
CID 176984837
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
2-[4-[2-[2-(4-ethylpiperazin-1-yl)ethoxy]ethyl]piperazin-1-yl]ethanol
CID 100986630
2-[4-[2-(3,3-dimethylbutoxy)ethyl]piperazin-1-yl]ethanol
CID 138648065
2-[4,7-bis(2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanol
CID 70808226
2-(4-ethylpiperazin-1-yl)ethanol;methane
CID 162265705
2-[4-[2-(6-methylheptoxy)ethyl]piperazin-1-yl]ethanol
CID 138647980
ethane;1-[2-(3-methoxycyclobutyl)oxyethyl]-4-methylpiperazine
CID 155583779
fluoro hypofluorite;2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanol
CID 70545422

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane?
The IUPAC name of 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane (CID 168901752) is 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane.
What is the SMILES notation for 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane?
The canonical SMILES for 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane is CC.CC.OCCN1CCN(CCOC2CNC2)CC1.
What is the InChIKey of 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane?
The InChIKey is BCZVMEAWXXMHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2.2C2H6/c15-7-5-13-1-3-14(4-2-13)6-8-16-11-9-12-10-11;2*1-2/h11-12,15H,1-10H2;2*1-2H3.
What are the key properties of 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane?
2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane has a molecular weight of 289.46 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane is sourced from PubChem (CID 168901752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).