(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

C18H27NO2 — CID 15925902

IUPAC(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESOC[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO2/c20-13-14-6-7-18(21)17(12-14)19-10-8-16(9-11-19)15-4-2-1-3-5-15/h1-5,14,16-18,20-21H,6-13H2/t14-,17+,18+/m0/s1
InChIKeyJFNQWJIRYFURGB-BMGDILEWSA-N
MW289.42 g/mol
LogP2.39
Rot. Bonds3

About (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol

(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (PubChem CID 15925902) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
PubChem CID15925902
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol
SMILESOC[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1
InChIInChI=1S/C18H27NO2/c20-13-14-6-7-18(21)17(12-14)19-10-8-16(9-11-19)15-4-2-1-3-5-15/h1-5,14,16-18,20-21H,6-13H2/t14-,17+,18+/m0/s1
InChIKeyJFNQWJIRYFURGB-BMGDILEWSA-N
XLogP2.39
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The IUPAC name of (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol (CID 15925902) is (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol.
What is the SMILES notation for (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The canonical SMILES for (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is OC[C@H]1CC[C@@H](O)[C@H](N2CCC(c3ccccc3)CC2)C1.
What is the InChIKey of (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
The InChIKey is JFNQWJIRYFURGB-BMGDILEWSA-N. The full InChI is InChI=1S/C18H27NO2/c20-13-14-6-7-18(21)17(12-14)19-10-8-16(9-11-19)15-4-2-1-3-5-15/h1-5,14,16-18,20-21H,6-13H2/t14-,17+,18+/m0/s1.
What are the key properties of (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol?
(1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,4S)-4-(hydroxymethyl)-2-(4-phenylpiperidin-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 15925902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).