1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol

C20H25NO — CID 174695572

IUPAC1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
SMILESOCC1CC2CCCN2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-6-7-4-8-2-1-3-9(8)5-7/h1-10H;7-8,10H,1-6H2
InChIKeyFOBHGMZRFHGSES-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.82
Rot. Bonds2

About 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol

1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol (PubChem CID 174695572) has the molecular formula C20H25NO and a molecular weight of 295.43 g/mol. Its IUPAC name is 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol.

Molecular Properties

Compound Name1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
PubChem CID174695572
Molecular FormulaC20H25NO
Molecular Weight295.43 g/mol
Exact Mass295.19
IUPAC Name1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol
SMILESOCC1CC2CCCN2C1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-6-7-4-8-2-1-3-9(8)5-7/h1-10H;7-8,10H,1-6H2
InChIKeyFOBHGMZRFHGSES-UHFFFAOYSA-N
XLogP3.82
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-yl]methanol
CID 92544933
[(3S)-1-(4-phenylcyclohexyl)piperidin-3-yl]methanol
CID 26458344
[(3S)-1-cycloheptylpiperidin-3-yl]methanol
CID 40515498
2-ethyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 89311495
[3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-(3-phenylphenyl)methanone
CID 45210373
(2R,8R)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 23245267
(2S,8aR)-2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451070
2-phenyl-1,2,3,5,6,7,8,8a-octahydroindolizine
CID 13451069
(2S,8S)-2-but-3-enyl-2,3,5,6,7,8-hexahydro-1H-pyrrolizine
CID 101124615
[1-(3-aminocyclohexyl)pyrrolidin-3-yl]methanol
CID 112629420
1-[(3R)-3-[4-(hydroxymethyl)piperidin-1-yl]piperidin-1-yl]-5-phenylpentan-1-one
CID 26316227
1-[(8aR)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-2-(4-phenylphenoxy)ethanone
CID 35527670

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol?
The IUPAC name of 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol (CID 174695572) is 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol.
What is the SMILES notation for 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol?
The canonical SMILES for 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol is OCC1CC2CCCN2C1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol?
The InChIKey is FOBHGMZRFHGSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H15NO/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-6-7-4-8-2-1-3-9(8)5-7/h1-10H;7-8,10H,1-6H2.
What are the key properties of 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol?
1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol has a molecular weight of 295.43 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ylmethanol is sourced from PubChem (CID 174695572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).