2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol

C16H28N2O — CID 2845794

IUPAC2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol
SMILESCC1(C)C2CC=C(CN3CCN(CCO)CC3)C1C2
InChIInChI=1S/C16H28N2O/c1-16(2)14-4-3-13(15(16)11-14)12-18-7-5-17(6-8-18)9-10-19/h3,14-15,19H,4-12H2,1-2H3
InChIKeyWEFIEZDURQFQGG-UHFFFAOYSA-N
MW264.41 g/mol
LogP1.59
Rot. Bonds4

About 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol

2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol (PubChem CID 2845794) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol
PubChem CID2845794
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol
SMILESCC1(C)C2CC=C(CN3CCN(CCO)CC3)C1C2
InChIInChI=1S/C16H28N2O/c1-16(2)14-4-3-13(15(16)11-14)12-18-7-5-17(6-8-18)9-10-19/h3,14-15,19H,4-12H2,1-2H3
InChIKeyWEFIEZDURQFQGG-UHFFFAOYSA-N
XLogP1.59
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

1-[(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]-4-piperidinol
CID 2845562
4-[(6,6-Dimethylbicyclo[3.1.1]hept-2-en-2-yl)methyl]morpholine
CID 2845803
Cambridge id 5422317
CID 782542
Cambridge id 5425368
CID 782894
Cambridge id 5429167
CID 783348
Cambridge id 5429941
CID 783466
Cambridge id 5430981
CID 933625
2-[4-[(4-Prop-1-en-2-ylcyclohexen-1-yl)methyl]piperazin-1-yl]ethanol
CID 2846048
1-[(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]-4-ethylpiperazine
CID 2846093
2-[(6,6-Dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl-propylamino]ethanol
CID 3724805
Cambridge id 5425258
CID 24014455
1-[[(1S,5R)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]piperidin-4-ol
CID 782544

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol?
The IUPAC name of 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol (CID 2845794) is 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol?
The canonical SMILES for 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol is CC1(C)C2CC=C(CN3CCN(CCO)CC3)C1C2.
What is the InChIKey of 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol?
The InChIKey is WEFIEZDURQFQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2)14-4-3-13(15(16)11-14)12-18-7-5-17(6-8-18)9-10-19/h3,14-15,19H,4-12H2,1-2H3.
What are the key properties of 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol?
2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol has a molecular weight of 264.41 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 2845794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).