ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol

C17H40N2O2 — CID 144581683

IUPACethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol
SMILESCC.CC.CN1CCC(O)CC1.CN1CCCC(CO)C1
InChIInChI=1S/C7H15NO.C6H13NO.2C2H6/c1-8-4-2-3-7(5-8)6-9;1-7-4-2-6(8)3-5-7;2*1-2/h7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;2*1-2H3
InChIKeyPDRLTPSDQBFROM-UHFFFAOYSA-N
MW304.52 g/mol
LogP2.45
Rot. Bonds1

About ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol

ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol (PubChem CID 144581683) has the molecular formula C17H40N2O2 and a molecular weight of 304.52 g/mol. Its IUPAC name is ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol.

Molecular Properties

Compound Nameethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol
PubChem CID144581683
Molecular FormulaC17H40N2O2
Molecular Weight304.52 g/mol
Exact Mass304.31
IUPAC Nameethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol
SMILESCC.CC.CN1CCC(O)CC1.CN1CCCC(CO)C1
InChIInChI=1S/C7H15NO.C6H13NO.2C2H6/c1-8-4-2-3-7(5-8)6-9;1-7-4-2-6(8)3-5-7;2*1-2/h7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;2*1-2H3
InChIKeyPDRLTPSDQBFROM-UHFFFAOYSA-N
XLogP2.45
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol?
The IUPAC name of ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol (CID 144581683) is ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol.
What is the SMILES notation for ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol?
The canonical SMILES for ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol is CC.CC.CN1CCC(O)CC1.CN1CCCC(CO)C1.
What is the InChIKey of ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol?
The InChIKey is PDRLTPSDQBFROM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C6H13NO.2C2H6/c1-8-4-2-3-7(5-8)6-9;1-7-4-2-6(8)3-5-7;2*1-2/h7,9H,2-6H2,1H3;6,8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol?
ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol has a molecular weight of 304.52 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methylpiperidin-4-ol;(1-methylpiperidin-3-yl)methanol is sourced from PubChem (CID 144581683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).