ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol

C15H33NO2 — CID 154661407

IUPACethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
SMILESCC.CCOCCCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-4-16-11-5-8-14-9-6-12(7-10-14)13(2,3)15;1-2/h12,15H,4-11H2,1-3H3;1-2H3
InChIKeyNAFICLAZINMNKQ-UHFFFAOYSA-N
MW259.43 g/mol
LogP2.92
Rot. Bonds6

About ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol

ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol (PubChem CID 154661407) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
PubChem CID154661407
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC Nameethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol
SMILESCC.CCOCCCN1CCC(C(C)(C)O)CC1
InChIInChI=1S/C13H27NO2.C2H6/c1-4-16-11-5-8-14-9-6-12(7-10-14)13(2,3)15;1-2/h12,15H,4-11H2,1-3H3;1-2H3
InChIKeyNAFICLAZINMNKQ-UHFFFAOYSA-N
XLogP2.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol?
The IUPAC name of ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol (CID 154661407) is ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol.
What is the SMILES notation for ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol?
The canonical SMILES for ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol is CC.CCOCCCN1CCC(C(C)(C)O)CC1.
What is the InChIKey of ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol?
The InChIKey is NAFICLAZINMNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-4-16-11-5-8-14-9-6-12(7-10-14)13(2,3)15;1-2/h12,15H,4-11H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol?
ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol has a molecular weight of 259.43 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[1-(3-ethoxypropyl)piperidin-4-yl]propan-2-ol is sourced from PubChem (CID 154661407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).