1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol

C11H17NO — CID 142013712

IUPAC1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol
SMILESC#CCN1CCC(C)(C(=C)O)CC1
InChIInChI=1S/C11H17NO/c1-4-7-12-8-5-11(3,6-9-12)10(2)13/h1,13H,2,5-9H2,3H3
InChIKeyFULGYUVEBRXPFU-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.79
Rot. Bonds2

About 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol

1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol (PubChem CID 142013712) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol.

Molecular Properties

Compound Name1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol
PubChem CID142013712
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol
SMILESC#CCN1CCC(C)(C(=C)O)CC1
InChIInChI=1S/C11H17NO/c1-4-7-12-8-5-11(3,6-9-12)10(2)13/h1,13H,2,5-9H2,3H3
InChIKeyFULGYUVEBRXPFU-UHFFFAOYSA-N
XLogP1.79
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol?
The IUPAC name of 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol (CID 142013712) is 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol.
What is the SMILES notation for 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol?
The canonical SMILES for 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol is C#CCN1CCC(C)(C(=C)O)CC1.
What is the InChIKey of 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol?
The InChIKey is FULGYUVEBRXPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-4-7-12-8-5-11(3,6-9-12)10(2)13/h1,13H,2,5-9H2,3H3.
What are the key properties of 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol?
1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol has a molecular weight of 179.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-prop-2-ynylpiperidin-4-yl)ethenol is sourced from PubChem (CID 142013712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).