1-but-1-en-2-ylpiperidin-3-ol

C9H17NO — CID 147998729

IUPAC1-but-1-en-2-ylpiperidin-3-ol
SMILESC=C(CC)N1CCCC(O)C1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(11)7-10/h9,11H,2-7H2,1H3
InChIKeyIWMZDMHVQYDZDE-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.37
Rot. Bonds2

About 1-but-1-en-2-ylpiperidin-3-ol

1-but-1-en-2-ylpiperidin-3-ol (PubChem CID 147998729) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-but-1-en-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name1-but-1-en-2-ylpiperidin-3-ol
PubChem CID147998729
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-but-1-en-2-ylpiperidin-3-ol
SMILESC=C(CC)N1CCCC(O)C1
InChIInChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(11)7-10/h9,11H,2-7H2,1H3
InChIKeyIWMZDMHVQYDZDE-UHFFFAOYSA-N
XLogP1.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-ylpiperidin-3-ol?
The IUPAC name of 1-but-1-en-2-ylpiperidin-3-ol (CID 147998729) is 1-but-1-en-2-ylpiperidin-3-ol.
What is the SMILES notation for 1-but-1-en-2-ylpiperidin-3-ol?
The canonical SMILES for 1-but-1-en-2-ylpiperidin-3-ol is C=C(CC)N1CCCC(O)C1.
What is the InChIKey of 1-but-1-en-2-ylpiperidin-3-ol?
The InChIKey is IWMZDMHVQYDZDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8(2)10-6-4-5-9(11)7-10/h9,11H,2-7H2,1H3.
What are the key properties of 1-but-1-en-2-ylpiperidin-3-ol?
1-but-1-en-2-ylpiperidin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-ylpiperidin-3-ol is sourced from PubChem (CID 147998729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).