1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane

C16H35N3O — CID 156729324

IUPAC1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane
SMILESCC.CCCCCN1CCN(CCOC2CNC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-14-12-15-13-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyDNVJPOPUAWUASA-UHFFFAOYSA-N
MW285.48 g/mol
LogP1.81
Rot. Bonds8

About 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane

1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane (PubChem CID 156729324) has the molecular formula C16H35N3O and a molecular weight of 285.48 g/mol. Its IUPAC name is 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane.

Molecular Properties

Compound Name1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane
PubChem CID156729324
Molecular FormulaC16H35N3O
Molecular Weight285.48 g/mol
Exact Mass285.28
IUPAC Name1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane
SMILESCC.CCCCCN1CCN(CCOC2CNC2)CC1
InChIInChI=1S/C14H29N3O.C2H6/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-14-12-15-13-14;1-2/h14-15H,2-13H2,1H3;1-2H3
InChIKeyDNVJPOPUAWUASA-UHFFFAOYSA-N
XLogP1.81
TPSA27.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[2-(azetidin-3-yloxy)ethyl]piperazin-1-yl]ethanol;ethane
CID 168901752
1-octylaziridine
CID 544653
1,4,7-tridodecyl-1,4,7-triazonane
CID 66887116
ethane;1-ethyl-4-hexylpiperazine;methane
CID 166111980
ethane;1-octylpiperazine
CID 144711845
ethane;1-(5-ethoxypentyl)-4-pentylpiperazine
CID 142365396
1-tricosylpiperazine
CID 130183651
1-(2-bromoethyl)-4-dodecylpiperazine
CID 80675071
1-(5-chloropentyl)-4-pentylpiperazine
CID 67898434
1,4,7,10-tetraheptyl-1,4,7,10-tetrazacyclotridecane
CID 24824731
ethane;1-methyl-4-pentylpiperazine
CID 145099418
1-ethyl-4-undecylpiperazine
CID 21399231

Frequently Asked Questions

What is the IUPAC name of 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane?
The IUPAC name of 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane (CID 156729324) is 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane.
What is the SMILES notation for 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane?
The canonical SMILES for 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane is CC.CCCCCN1CCN(CCOC2CNC2)CC1.
What is the InChIKey of 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane?
The InChIKey is DNVJPOPUAWUASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O.C2H6/c1-2-3-4-5-16-6-8-17(9-7-16)10-11-18-14-12-15-13-14;1-2/h14-15H,2-13H2,1H3;1-2H3.
What are the key properties of 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane?
1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane has a molecular weight of 285.48 g/mol, XLogP of 1.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(azetidin-3-yloxy)ethyl]-4-pentylpiperazine;ethane is sourced from PubChem (CID 156729324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).