2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone

C14H21NO2 — CID 54878377

IUPAC2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC2C=CC1C2)N1CCC(CO)CC1
InChIInChI=1S/C14H21NO2/c16-9-10-3-5-15(6-4-10)14(17)13-8-11-1-2-12(13)7-11/h1-2,10-13,16H,3-9H2
InChIKeyNFLYCHQALHWHOE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.43
Rot. Bonds2

About 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone

2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone (PubChem CID 54878377) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone
PubChem CID54878377
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone
SMILESO=C(C1CC2C=CC1C2)N1CCC(CO)CC1
InChIInChI=1S/C14H21NO2/c16-9-10-3-5-15(6-4-10)14(17)13-8-11-1-2-12(13)7-11/h1-2,10-13,16H,3-9H2
InChIKeyNFLYCHQALHWHOE-UHFFFAOYSA-N
XLogP1.43
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.43
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-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The IUPAC name of 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone (CID 54878377) is 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone is O=C(C1CC2C=CC1C2)N1CCC(CO)CC1.
What is the InChIKey of 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone?
The InChIKey is NFLYCHQALHWHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-9-10-3-5-15(6-4-10)14(17)13-8-11-1-2-12(13)7-11/h1-2,10-13,16H,3-9H2.
What are the key properties of 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone?
2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone has a molecular weight of 235.33 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bicyclo[2.2.1]hept-5-enyl-[4-(hydroxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 54878377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).