ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane

C20H39N3O3 — CID 142386023

IUPACethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane
SMILESCC.CCC.OCCN1CCN(CCCOc2ccc(CO)cn2)CC1
InChIInChI=1S/C15H25N3O3.C3H8.C2H6/c19-10-9-18-7-5-17(6-8-18)4-1-11-21-15-3-2-14(13-20)12-16-15;1-3-2;1-2/h2-3,12,19-20H,1,4-11,13H2;3H2,1-2H3;1-2H3
InChIKeyQZSWMIJHTSFYIZ-UHFFFAOYSA-N
MW369.55 g/mol
LogP2.40
Rot. Bonds8

About ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane

ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane (PubChem CID 142386023) has the molecular formula C20H39N3O3 and a molecular weight of 369.55 g/mol. Its IUPAC name is ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane.

Molecular Properties

Compound Nameethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane
PubChem CID142386023
Molecular FormulaC20H39N3O3
Molecular Weight369.55 g/mol
Exact Mass369.30
IUPAC Nameethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane
SMILESCC.CCC.OCCN1CCN(CCCOc2ccc(CO)cn2)CC1
InChIInChI=1S/C15H25N3O3.C3H8.C2H6/c19-10-9-18-7-5-17(6-8-18)4-1-11-21-15-3-2-14(13-20)12-16-15;1-3-2;1-2/h2-3,12,19-20H,1,4-11,13H2;3H2,1-2H3;1-2H3
InChIKeyQZSWMIJHTSFYIZ-UHFFFAOYSA-N
XLogP2.40
TPSA69.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.55
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
CID 142390979
(6-ethoxy-3-pyridinyl)methanol
CID 10630706
1-[4-[3-[(5-ethyl-2-pyridinyl)oxy]propyl]piperazin-1-yl]-4-methylpentan-1-one
CID 171554389
ethane;4-methyl-1-[4-[3-[[5-(2-oxobutyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]pentan-1-one
CID 171554323
1-(2-methoxyethyl)-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine
CID 135172513
5-bromo-2-(3-pyrrolidin-1-ylpropoxy)pyridine
CID 118523377
[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]boronic acid
CID 169002752
2-[4-[5-[(2-methoxyethylamino)methyl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 80631144
[3-methyl-5-[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]phenyl]methanol
CID 171674001
N-[[6-(2-pyrrolidin-1-ylethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62297202
2-[4-[(6-amino-3-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 55046739
2-[4-[3-(3-methylphenoxy)propyl]piperazin-1-yl]ethanol
CID 60669962

Frequently Asked Questions

What is the IUPAC name of ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane?
The IUPAC name of ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane (CID 142386023) is ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane.
What is the SMILES notation for ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane?
The canonical SMILES for ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane is CC.CCC.OCCN1CCN(CCCOc2ccc(CO)cn2)CC1.
What is the InChIKey of ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane?
The InChIKey is QZSWMIJHTSFYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3.C3H8.C2H6/c19-10-9-18-7-5-17(6-8-18)4-1-11-21-15-3-2-14(13-20)12-16-15;1-3-2;1-2/h2-3,12,19-20H,1,4-11,13H2;3H2,1-2H3;1-2H3.
What are the key properties of ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane?
ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane has a molecular weight of 369.55 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[4-[3-[[5-(hydroxymethyl)-2-pyridinyl]oxy]propyl]piperazin-1-yl]ethanol;propane is sourced from PubChem (CID 142386023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).