trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol

C17H25NO2 — CID 11585540

IUPACtrans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16-,17-/m1/s1
InChIKeyKOZXDMVFYPKCCY-BRWVUGGUSA-N
MW275.39 g/mol
LogP2.58
Rot. Bonds4

About trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol

trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol (PubChem CID 11585540) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
PubChem CID11585540
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Nametrans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1N1CC[C@@H](OCc2ccccc2)C1
InChIInChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16-,17-/m1/s1
InChIKeyKOZXDMVFYPKCCY-BRWVUGGUSA-N
XLogP2.58
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol (CID 11585540) is trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1N1CC[C@@H](OCc2ccccc2)C1.
What is the InChIKey of trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
The InChIKey is KOZXDMVFYPKCCY-BRWVUGGUSA-N. The full InChI is InChI=1S/C17H25NO2/c19-17-9-5-4-8-16(17)18-11-10-15(12-18)20-13-14-6-2-1-3-7-14/h1-3,6-7,15-17,19H,4-5,8-13H2/t15-,16-,17-/m1/s1.
What are the key properties of trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol?
trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol has a molecular weight of 275.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-[(3R)-3-phenylmethoxypyrrolidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 11585540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).