(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol

C14H27NO2 — CID 118370632

IUPAC(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol
SMILESCC(CC1CCCCC1)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO2/c1-10(7-11-5-3-2-4-6-11)12-8-15-9-13(16)14(12)17/h10-17H,2-9H2,1H3/t10?,12-,13-,14-/m1/s1
InChIKeyAZHPFAZLYZTKRM-FYFXECOGSA-N
MW241.37 g/mol
LogP1.53
Rot. Bonds3

About (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol

(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol (PubChem CID 118370632) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol.

Molecular Properties

Compound Name(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol
PubChem CID118370632
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol
SMILESCC(CC1CCCCC1)[C@H]1CNC[C@@H](O)[C@@H]1O
InChIInChI=1S/C14H27NO2/c1-10(7-11-5-3-2-4-6-11)12-8-15-9-13(16)14(12)17/h10-17H,2-9H2,1H3/t10?,12-,13-,14-/m1/s1
InChIKeyAZHPFAZLYZTKRM-FYFXECOGSA-N
XLogP1.53
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol?
The IUPAC name of (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol (CID 118370632) is (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol.
What is the SMILES notation for (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol?
The canonical SMILES for (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol is CC(CC1CCCCC1)[C@H]1CNC[C@@H](O)[C@@H]1O.
What is the InChIKey of (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol?
The InChIKey is AZHPFAZLYZTKRM-FYFXECOGSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10(7-11-5-3-2-4-6-11)12-8-15-9-13(16)14(12)17/h10-17H,2-9H2,1H3/t10?,12-,13-,14-/m1/s1.
What are the key properties of (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol?
(3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol has a molecular weight of 241.37 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5S)-5-(1-cyclohexylpropan-2-yl)piperidine-3,4-diol is sourced from PubChem (CID 118370632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).