ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol

C17H40N2O4 — CID 142353909

IUPACethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol
SMILESCC.CC.CC1CC(O)CN(O)C1.COC1CC(C)CN(O)C1
InChIInChI=1S/C7H15NO2.C6H13NO2.2C2H6/c1-6-3-7(10-2)5-8(9)4-6;1-5-2-6(8)4-7(9)3-5;2*1-2/h6-7,9H,3-5H2,1-2H3;5-6,8-9H,2-4H2,1H3;2*1-2H3
InChIKeyNBBFXSIKSAMBBM-UHFFFAOYSA-N
MW336.52 g/mol
LogP2.86
Rot. Bonds1

About ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol

ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol (PubChem CID 142353909) has the molecular formula C17H40N2O4 and a molecular weight of 336.52 g/mol. Its IUPAC name is ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol.

Molecular Properties

Compound Nameethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol
PubChem CID142353909
Molecular FormulaC17H40N2O4
Molecular Weight336.52 g/mol
Exact Mass336.30
IUPAC Nameethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol
SMILESCC.CC.CC1CC(O)CN(O)C1.COC1CC(C)CN(O)C1
InChIInChI=1S/C7H15NO2.C6H13NO2.2C2H6/c1-6-3-7(10-2)5-8(9)4-6;1-5-2-6(8)4-7(9)3-5;2*1-2/h6-7,9H,3-5H2,1-2H3;5-6,8-9H,2-4H2,1H3;2*1-2H3
InChIKeyNBBFXSIKSAMBBM-UHFFFAOYSA-N
XLogP2.86
TPSA76.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.52
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol?
The IUPAC name of ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol (CID 142353909) is ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol.
What is the SMILES notation for ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol?
The canonical SMILES for ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol is CC.CC.CC1CC(O)CN(O)C1.COC1CC(C)CN(O)C1.
What is the InChIKey of ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol?
The InChIKey is NBBFXSIKSAMBBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.C6H13NO2.2C2H6/c1-6-3-7(10-2)5-8(9)4-6;1-5-2-6(8)4-7(9)3-5;2*1-2/h6-7,9H,3-5H2,1-2H3;5-6,8-9H,2-4H2,1H3;2*1-2H3.
What are the key properties of ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol?
ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol has a molecular weight of 336.52 g/mol, XLogP of 2.86, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-3-methoxy-5-methylpiperidine;1-hydroxy-5-methylpiperidin-3-ol is sourced from PubChem (CID 142353909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).