2-(3-methylpiperidin-3-yl)ethanol

C8H17NO — CID 57221400

IUPAC2-(3-methylpiperidin-3-yl)ethanol
SMILESCC1(CCO)CCCNC1
InChIInChI=1S/C8H17NO/c1-8(4-6-10)3-2-5-9-7-8/h9-10H,2-7H2,1H3
InChIKeyVRYZCEYOBLFFKH-UHFFFAOYSA-N
MW143.23 g/mol
LogP0.76
Rot. Bonds2

About 2-(3-methylpiperidin-3-yl)ethanol

2-(3-methylpiperidin-3-yl)ethanol (PubChem CID 57221400) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 2-(3-methylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(3-methylpiperidin-3-yl)ethanol
PubChem CID57221400
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name2-(3-methylpiperidin-3-yl)ethanol
SMILESCC1(CCO)CCCNC1
InChIInChI=1S/C8H17NO/c1-8(4-6-10)3-2-5-9-7-8/h9-10H,2-7H2,1H3
InChIKeyVRYZCEYOBLFFKH-UHFFFAOYSA-N
XLogP0.76
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(3-methylpiperidin-3-yl)ethanol (CID 57221400) is 2-(3-methylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(3-methylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(3-methylpiperidin-3-yl)ethanol is CC1(CCO)CCCNC1.
What is the InChIKey of 2-(3-methylpiperidin-3-yl)ethanol?
The InChIKey is VRYZCEYOBLFFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO/c1-8(4-6-10)3-2-5-9-7-8/h9-10H,2-7H2,1H3.
What are the key properties of 2-(3-methylpiperidin-3-yl)ethanol?
2-(3-methylpiperidin-3-yl)ethanol has a molecular weight of 143.23 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-3-yl)ethanol is sourced from PubChem (CID 57221400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).