ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol

C18H35N3O2 — CID 142390979

IUPACethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
SMILESCC.CCN1CCN(CCCOc2ccc(C)cn2)CC1.CO
InChIInChI=1S/C15H25N3O.C2H6.CH4O/c1-3-17-8-10-18(11-9-17)7-4-12-19-15-6-5-14(2)13-16-15;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;1-2H3;2H,1H3
InChIKeySFOPYPZTNFGVPS-UHFFFAOYSA-N
MW325.50 g/mol
LogP2.43
Rot. Bonds6

About ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol

ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol (PubChem CID 142390979) has the molecular formula C18H35N3O2 and a molecular weight of 325.50 g/mol. Its IUPAC name is ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol.

Molecular Properties

Compound Nameethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
PubChem CID142390979
Molecular FormulaC18H35N3O2
Molecular Weight325.50 g/mol
Exact Mass325.27
IUPAC Nameethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol
SMILESCC.CCN1CCN(CCCOc2ccc(C)cn2)CC1.CO
InChIInChI=1S/C15H25N3O.C2H6.CH4O/c1-3-17-8-10-18(11-9-17)7-4-12-19-15-6-5-14(2)13-16-15;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;1-2H3;2H,1H3
InChIKeySFOPYPZTNFGVPS-UHFFFAOYSA-N
XLogP2.43
TPSA48.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol?
The IUPAC name of ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol (CID 142390979) is ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol.
What is the SMILES notation for ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol?
The canonical SMILES for ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol is CC.CCN1CCN(CCCOc2ccc(C)cn2)CC1.CO.
What is the InChIKey of ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol?
The InChIKey is SFOPYPZTNFGVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O.C2H6.CH4O/c1-3-17-8-10-18(11-9-17)7-4-12-19-15-6-5-14(2)13-16-15;2*1-2/h5-6,13H,3-4,7-12H2,1-2H3;1-2H3;2H,1H3.
What are the key properties of ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol?
ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol has a molecular weight of 325.50 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-ethyl-4-[3-[(5-methyl-2-pyridinyl)oxy]propyl]piperazine;methanol is sourced from PubChem (CID 142390979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).