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

C11H23NO — CID 54000357

IUPAC2-(1-butylpiperidin-3-yl)ethanol
SMILESCCCCN1CCCC(CCO)C1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-4-5-11(10-12)6-9-13/h11,13H,2-10H2,1H3
InChIKeyKLDCDXGMFHPGRQ-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds5

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

2-(1-butylpiperidin-3-yl)ethanol (PubChem CID 54000357) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-(1-butylpiperidin-3-yl)ethanol.

Molecular Properties

Compound Name2-(1-butylpiperidin-3-yl)ethanol
PubChem CID54000357
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-(1-butylpiperidin-3-yl)ethanol
SMILESCCCCN1CCCC(CCO)C1
InChIInChI=1S/C11H23NO/c1-2-3-7-12-8-4-5-11(10-12)6-9-13/h11,13H,2-10H2,1H3
InChIKeyKLDCDXGMFHPGRQ-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-butylpiperidin-3-yl)ethanol?
The IUPAC name of 2-(1-butylpiperidin-3-yl)ethanol (CID 54000357) is 2-(1-butylpiperidin-3-yl)ethanol.
What is the SMILES notation for 2-(1-butylpiperidin-3-yl)ethanol?
The canonical SMILES for 2-(1-butylpiperidin-3-yl)ethanol is CCCCN1CCCC(CCO)C1.
What is the InChIKey of 2-(1-butylpiperidin-3-yl)ethanol?
The InChIKey is KLDCDXGMFHPGRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-2-3-7-12-8-4-5-11(10-12)6-9-13/h11,13H,2-10H2,1H3.
What are the key properties of 2-(1-butylpiperidin-3-yl)ethanol?
2-(1-butylpiperidin-3-yl)ethanol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butylpiperidin-3-yl)ethanol is sourced from PubChem (CID 54000357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).