(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol

C17H25NO2 — CID 71693875

IUPAC(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol
SMILESCc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-12-5-7-13(8-6-12)14-11-15(19)17(20)16(14)18-9-3-2-4-10-18/h5-8,14-17,19-20H,2-4,9-11H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyMEGYAWWYAYFVBX-QBPKDAKJSA-N
MW275.39 g/mol
LogP2.06
Rot. Bonds2

About (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol

(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol (PubChem CID 71693875) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol.

Molecular Properties

Compound Name(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol
PubChem CID71693875
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol
SMILESCc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2N2CCCCC2)cc1
InChIInChI=1S/C17H25NO2/c1-12-5-7-13(8-6-12)14-11-15(19)17(20)16(14)18-9-3-2-4-10-18/h5-8,14-17,19-20H,2-4,9-11H2,1H3/t14-,15-,16-,17-/m1/s1
InChIKeyMEGYAWWYAYFVBX-QBPKDAKJSA-N
XLogP2.06
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol?
The IUPAC name of (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol (CID 71693875) is (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol.
What is the SMILES notation for (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol?
The canonical SMILES for (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol is Cc1ccc([C@H]2C[C@@H](O)[C@@H](O)[C@@H]2N2CCCCC2)cc1.
What is the InChIKey of (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol?
The InChIKey is MEGYAWWYAYFVBX-QBPKDAKJSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12-5-7-13(8-6-12)14-11-15(19)17(20)16(14)18-9-3-2-4-10-18/h5-8,14-17,19-20H,2-4,9-11H2,1H3/t14-,15-,16-,17-/m1/s1.
What are the key properties of (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol?
(1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol has a molecular weight of 275.39 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,4R)-4-(4-methylphenyl)-3-piperidin-1-ylcyclopentane-1,2-diol is sourced from PubChem (CID 71693875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).