1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol

C11H21NO — CID 135134247

IUPAC1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-11(13)12-7-5-10(6-8-12)9(2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyFVTTWJIYFGLCEO-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.86
Rot. Bonds3

About 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol

1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol (PubChem CID 135134247) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol
PubChem CID135134247
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol
SMILESC=CC(O)N1CCC(C(C)C)CC1
InChIInChI=1S/C11H21NO/c1-4-11(13)12-7-5-10(6-8-12)9(2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyFVTTWJIYFGLCEO-UHFFFAOYSA-N
XLogP1.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol?
The IUPAC name of 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol (CID 135134247) is 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol is C=CC(O)N1CCC(C(C)C)CC1.
What is the InChIKey of 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol?
The InChIKey is FVTTWJIYFGLCEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-4-11(13)12-7-5-10(6-8-12)9(2)3/h4,9-11,13H,1,5-8H2,2-3H3.
What are the key properties of 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol?
1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propan-2-ylpiperidin-1-yl)prop-2-en-1-ol is sourced from PubChem (CID 135134247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).