2-(1-propylpiperidin-3-yl)ethanol

C10H21NO — CID 22987971

IUPAC2-(1-propylpiperidin-3-yl)ethanol
SMILESCCCN1CCCC(CCO)C1
InChIInChI=1S/C10H21NO/c1-2-6-11-7-3-4-10(9-11)5-8-12/h10,12H,2-9H2,1H3
InChIKeyVYFZAYNVTUWHLD-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.49
Rot. Bonds4

About 2-(1-propylpiperidin-3-yl)ethanol

2-(1-propylpiperidin-3-yl)ethanol (PubChem CID 22987971) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 2-(1-propylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-propylpiperidin-3-yl)ethanol
PubChem CID22987971
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name2-(1-propylpiperidin-3-yl)ethanol
SMILESCCCN1CCCC(CCO)C1
InChIInChI=1S/C10H21NO/c1-2-6-11-7-3-4-10(9-11)5-8-12/h10,12H,2-9H2,1H3
InChIKeyVYFZAYNVTUWHLD-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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-propylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-propylpiperidin-3-yl)ethanol (CID 22987971) is 2-(1-propylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-propylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-propylpiperidin-3-yl)ethanol is CCCN1CCCC(CCO)C1.
What is the InChIKey of 2-(1-propylpiperidin-3-yl)ethanol?
The InChIKey is VYFZAYNVTUWHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-6-11-7-3-4-10(9-11)5-8-12/h10,12H,2-9H2,1H3.
What are the key properties of 2-(1-propylpiperidin-3-yl)ethanol?
2-(1-propylpiperidin-3-yl)ethanol has a molecular weight of 171.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propylpiperidin-3-yl)ethanol is sourced from PubChem (CID 22987971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).