trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol

C18H21NO — CID 146290801

IUPACtrans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol
SMILESO[C@@]1(Cc2ccccn2)CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21NO/c20-18(14-17-10-4-5-12-19-17)11-6-9-16(13-18)15-7-2-1-3-8-15/h1-5,7-8,10,12,16,20H,6,9,11,13-14H2/t16-,18+/m1/s1
InChIKeyLUUMFMMZMLQRQM-AEFFLSMTSA-N
MW267.37 g/mol
LogP3.71
Rot. Bonds3

About trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol

trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol (PubChem CID 146290801) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol
PubChem CID146290801
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Nametrans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol
SMILESO[C@@]1(Cc2ccccn2)CCC[C@@H](c2ccccc2)C1
InChIInChI=1S/C18H21NO/c20-18(14-17-10-4-5-12-19-17)11-6-9-16(13-18)15-7-2-1-3-8-15/h1-5,7-8,10,12,16,20H,6,9,11,13-14H2/t16-,18+/m1/s1
InChIKeyLUUMFMMZMLQRQM-AEFFLSMTSA-N
XLogP3.71
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The IUPAC name of trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol (CID 146290801) is trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol.
What is the SMILES notation for trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The canonical SMILES for trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol is O[C@@]1(Cc2ccccn2)CCC[C@@H](c2ccccc2)C1.
What is the InChIKey of trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol?
The InChIKey is LUUMFMMZMLQRQM-AEFFLSMTSA-N. The full InChI is InChI=1S/C18H21NO/c20-18(14-17-10-4-5-12-19-17)11-6-9-16(13-18)15-7-2-1-3-8-15/h1-5,7-8,10,12,16,20H,6,9,11,13-14H2/t16-,18+/m1/s1.
What are the key properties of trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol?
trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol has a molecular weight of 267.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3R)-3-phenyl-1-(pyridin-2-ylmethyl)cyclohexan-1-ol is sourced from PubChem (CID 146290801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).