2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol

C14H24N2O — CID 2845678

IUPAC2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2O/c17-8-7-15-3-5-16(6-4-15)11-14-10-12-1-2-13(14)9-12/h1-2,12-14,17H,3-11H2
InChIKeySFTDXPMKIGOJHO-UHFFFAOYSA-N
MW236.36 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol

2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol (PubChem CID 2845678) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol
PubChem CID2845678
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol
SMILESOCCN1CCN(CC2CC3C=CC2C3)CC1
InChIInChI=1S/C14H24N2O/c17-8-7-15-3-5-16(6-4-15)11-14-10-12-1-2-13(14)9-12/h1-2,12-14,17H,3-11H2
InChIKeySFTDXPMKIGOJHO-UHFFFAOYSA-N
XLogP0.81
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol (CID 2845678) is 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol is OCCN1CCN(CC2CC3C=CC2C3)CC1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol?
The InChIKey is SFTDXPMKIGOJHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c17-8-7-15-3-5-16(6-4-15)11-14-10-12-1-2-13(14)9-12/h1-2,12-14,17H,3-11H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol?
2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol has a molecular weight of 236.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bicyclo[2.2.1]hept-5-enylmethyl)piperazin-1-yl]ethanol is sourced from PubChem (CID 2845678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).