2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol

C19H28N2O — CID 111701832

IUPAC2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
SMILESOC(CN1CCN(C2CC3CCC2C3)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(16-4-2-1-3-5-16)14-20-8-10-21(11-9-20)18-13-15-6-7-17(18)12-15/h1-5,15,17-19,22H,6-14H2
InChIKeyUQYSHIHOKNIAHX-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.53
Rot. Bonds4

About 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol (PubChem CID 111701832) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
PubChem CID111701832
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol
SMILESOC(CN1CCN(C2CC3CCC2C3)CC1)c1ccccc1
InChIInChI=1S/C19H28N2O/c22-19(16-4-2-1-3-5-16)14-20-8-10-21(11-9-20)18-13-15-6-7-17(18)12-15/h1-5,15,17-19,22H,6-14H2
InChIKeyUQYSHIHOKNIAHX-UHFFFAOYSA-N
XLogP2.53
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-(2,6-difluorophenyl)ethanol
CID 111701838
1-benzyl-4-(2-bicyclo[2.2.1]heptanyl)piperazine;oxalic acid
CID 17385176
1-(2-bicyclo[2.2.1]heptanyl)-4-(2-methylpropyl)piperazine
CID 139318530
1-(2-bicyclo[2.2.1]heptanyl)-4-(2,2-difluoroethyl)piperazine
CID 71979060
1-(2-bicyclo[2.2.1]heptanyl)-4-phenylpiperazine
CID 2846385
3-amino-1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-phenylpropan-1-one;dihydrochloride
CID 119954098
1-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-3-(4-fluorophenoxy)propan-2-ol
CID 111701834
1-(2-bicyclo[2.2.1]heptanyl)-4-[(2-fluorophenyl)methyl]piperazine;oxalic acid
CID 90483737
1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-4-[(2-bromophenyl)methyl]piperazine
CID 98125128
1-phenyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)ethanol
CID 67042484
1-[3-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-2-hydroxypropyl]pyrrolidin-2-one
CID 111753969
2-[4-(aminomethyl)piperidin-1-yl]-1-phenylethanol
CID 54592604

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol?
The IUPAC name of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol (CID 111701832) is 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol.
What is the SMILES notation for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol?
The canonical SMILES for 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol is OC(CN1CCN(C2CC3CCC2C3)CC1)c1ccccc1.
What is the InChIKey of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol?
The InChIKey is UQYSHIHOKNIAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c22-19(16-4-2-1-3-5-16)14-20-8-10-21(11-9-20)18-13-15-6-7-17(18)12-15/h1-5,15,17-19,22H,6-14H2.
What are the key properties of 2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol?
2-[4-(2-bicyclo[2.2.1]heptanyl)piperazin-1-yl]-1-phenylethanol has a molecular weight of 300.45 g/mol, XLogP of 2.53, 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]heptanyl)piperazin-1-yl]-1-phenylethanol is sourced from PubChem (CID 111701832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).