1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol

C11H21NO — CID 166968920

IUPAC1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol
SMILESC=CC(O)N1CCCC[C@@H]1CCC
InChIInChI=1S/C11H21NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h4,10-11,13H,2-3,5-9H2,1H3/t10-,11?/m0/s1
InChIKeyUODXJOMLUILNPY-VUWPPUDQSA-N
MW183.29 g/mol
LogP2.15
Rot. Bonds4

About 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol

1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol (PubChem CID 166968920) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol.

Molecular Properties

Compound Name1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol
PubChem CID166968920
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol
SMILESC=CC(O)N1CCCC[C@@H]1CCC
InChIInChI=1S/C11H21NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h4,10-11,13H,2-3,5-9H2,1H3/t10-,11?/m0/s1
InChIKeyUODXJOMLUILNPY-VUWPPUDQSA-N
XLogP2.15
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.15
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-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol?
The IUPAC name of 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol (CID 166968920) is 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol.
What is the SMILES notation for 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol?
The canonical SMILES for 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol is C=CC(O)N1CCCC[C@@H]1CCC.
What is the InChIKey of 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol?
The InChIKey is UODXJOMLUILNPY-VUWPPUDQSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-7-10-8-5-6-9-12(10)11(13)4-2/h4,10-11,13H,2-3,5-9H2,1H3/t10-,11?/m0/s1.
What are the key properties of 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol?
1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol has a molecular weight of 183.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-2-propylpiperidin-1-yl]prop-2-en-1-ol is sourced from PubChem (CID 166968920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).