2-(1-propan-2-ylpiperidin-3-yl)ethanol

C10H21NO — CID 19097405

IUPAC2-(1-propan-2-ylpiperidin-3-yl)ethanol
SMILESCC(C)N1CCCC(CCO)C1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-3-4-10(8-11)5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyMPSOPNTZIAIFBK-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds3

About 2-(1-propan-2-ylpiperidin-3-yl)ethanol

2-(1-propan-2-ylpiperidin-3-yl)ethanol (PubChem CID 19097405) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-3-yl)ethanol
PubChem CID19097405
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-propan-2-ylpiperidin-3-yl)ethanol
SMILESCC(C)N1CCCC(CCO)C1
InChIInChI=1S/C10H21NO/c1-9(2)11-6-3-4-10(8-11)5-7-12/h9-10,12H,3-8H2,1-2H3
InChIKeyMPSOPNTZIAIFBK-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-propan-2-ylpiperidin-3-yl)ethanol (CID 19097405) is 2-(1-propan-2-ylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-3-yl)ethanol is CC(C)N1CCCC(CCO)C1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-3-yl)ethanol?
The InChIKey is MPSOPNTZIAIFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-9(2)11-6-3-4-10(8-11)5-7-12/h9-10,12H,3-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-3-yl)ethanol?
2-(1-propan-2-ylpiperidin-3-yl)ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-3-yl)ethanol is sourced from PubChem (CID 19097405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).