(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol

C23H29NO2 — CID 18635734

IUPAC(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol
SMILESO[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C23H29NO2/c25-23-21(24-15-5-2-6-16-24)13-14-22(23)26-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2/t21-,22+,23+/m0/s1
InChIKeyGIWGUXYMDHOKPX-YTFSRNRJSA-N
MW351.49 g/mol
LogP4.25
Rot. Bonds5

About (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol

(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol (PubChem CID 18635734) has the molecular formula C23H29NO2 and a molecular weight of 351.49 g/mol. Its IUPAC name is (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol.

Molecular Properties

Compound Name(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol
PubChem CID18635734
Molecular FormulaC23H29NO2
Molecular Weight351.49 g/mol
Exact Mass351.22
IUPAC Name(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol
SMILESO[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1
InChIInChI=1S/C23H29NO2/c25-23-21(24-15-5-2-6-16-24)13-14-22(23)26-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2/t21-,22+,23+/m0/s1
InChIKeyGIWGUXYMDHOKPX-YTFSRNRJSA-N
XLogP4.25
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The IUPAC name of (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol (CID 18635734) is (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol.
What is the SMILES notation for (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The canonical SMILES for (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol is O[C@H]1[C@H](OCc2ccc(-c3ccccc3)cc2)CC[C@@H]1N1CCCCC1.
What is the InChIKey of (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol?
The InChIKey is GIWGUXYMDHOKPX-YTFSRNRJSA-N. The full InChI is InChI=1S/C23H29NO2/c25-23-21(24-15-5-2-6-16-24)13-14-22(23)26-17-18-9-11-20(12-10-18)19-7-3-1-4-8-19/h1,3-4,7-12,21-23,25H,2,5-6,13-17H2/t21-,22+,23+/m0/s1.
What are the key properties of (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol?
(1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol has a molecular weight of 351.49 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-2-[(4-phenylphenyl)methoxy]-5-piperidin-1-ylcyclopentan-1-ol is sourced from PubChem (CID 18635734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).