2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol

C15H29NO — CID 67848617

IUPAC2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol
SMILESCCC=C(CCC)CC1CCN(CCO)CC1
InChIInChI=1S/C15H29NO/c1-3-5-14(6-4-2)13-15-7-9-16(10-8-15)11-12-17/h5,15,17H,3-4,6-13H2,1-2H3
InChIKeyYGXFPJFPUUVSEE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds7

About 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol

2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol (PubChem CID 67848617) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol
PubChem CID67848617
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol
SMILESCCC=C(CCC)CC1CCN(CCO)CC1
InChIInChI=1S/C15H29NO/c1-3-5-14(6-4-2)13-15-7-9-16(10-8-15)11-12-17/h5,15,17H,3-4,6-13H2,1-2H3
InChIKeyYGXFPJFPUUVSEE-UHFFFAOYSA-N
XLogP3.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
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 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol (CID 67848617) is 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol is CCC=C(CCC)CC1CCN(CCO)CC1.
What is the InChIKey of 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol?
The InChIKey is YGXFPJFPUUVSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-5-14(6-4-2)13-15-7-9-16(10-8-15)11-12-17/h5,15,17H,3-4,6-13H2,1-2H3.
What are the key properties of 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol?
2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol has a molecular weight of 239.40 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-propylpent-2-enyl)piperidin-1-yl]ethanol is sourced from PubChem (CID 67848617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).