(3R,5S)-1-ethylpiperidine-3,5-diol

C7H15NO2 — CID 96570686

IUPAC(3R,5S)-1-ethylpiperidine-3,5-diol
SMILESCCN1C[C@H](O)C[C@H](O)C1
InChIInChI=1S/C7H15NO2/c1-2-8-4-6(9)3-7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+
InChIKeySPSPKIBLEWRJKJ-KNVOCYPGSA-N
MW145.20 g/mol
LogP-0.57
Rot. Bonds1

About (3R,5S)-1-ethylpiperidine-3,5-diol

(3R,5S)-1-ethylpiperidine-3,5-diol (PubChem CID 96570686) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is (3R,5S)-1-ethylpiperidine-3,5-diol.

Molecular Properties

Compound Name(3R,5S)-1-ethylpiperidine-3,5-diol
PubChem CID96570686
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name(3R,5S)-1-ethylpiperidine-3,5-diol
SMILESCCN1C[C@H](O)C[C@H](O)C1
InChIInChI=1S/C7H15NO2/c1-2-8-4-6(9)3-7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+
InChIKeySPSPKIBLEWRJKJ-KNVOCYPGSA-N
XLogP-0.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-ethylazetidin-3-ol;hydrochloride
CID 57415896
(3S,5S)-1-ethyl-5-methylpiperidin-3-ol
CID 1415650
(3S,5R)-1-ethyl-5-hydroxypiperidine-3-carbonitrile
CID 167308554
acetylene;1,4-dimethylcyclohexane;1-ethylazetidin-3-ol
CID 166536916
2-ethyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-ol
CID 130987265
1-ethylpyrrolidin-3-ol;hydrochloride
CID 174666123
3-ethyl-3-azabicyclo[3.1.0]hexane
CID 69176949
(1-ethylazetidin-3-yl)-(3-hydroxyazetidin-1-yl)methanone
CID 69087847
(3R)-1-ethyl-3,4-dimethylpyrrolidine
CID 144761230
1-ethyl-6-methylazepan-4-ol
CID 166157584
cyclohexane-1,3,5-triol;ethanol
CID 143582059
(1R,5S)-3-ethyl-7-methyl-3,7-diazabicyclo[3.3.1]nonan-9-ol
CID 15758755

Frequently Asked Questions

What is the IUPAC name of (3R,5S)-1-ethylpiperidine-3,5-diol?
The IUPAC name of (3R,5S)-1-ethylpiperidine-3,5-diol (CID 96570686) is (3R,5S)-1-ethylpiperidine-3,5-diol.
What is the SMILES notation for (3R,5S)-1-ethylpiperidine-3,5-diol?
The canonical SMILES for (3R,5S)-1-ethylpiperidine-3,5-diol is CCN1C[C@H](O)C[C@H](O)C1.
What is the InChIKey of (3R,5S)-1-ethylpiperidine-3,5-diol?
The InChIKey is SPSPKIBLEWRJKJ-KNVOCYPGSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-8-4-6(9)3-7(10)5-8/h6-7,9-10H,2-5H2,1H3/t6-,7+.
What are the key properties of (3R,5S)-1-ethylpiperidine-3,5-diol?
(3R,5S)-1-ethylpiperidine-3,5-diol has a molecular weight of 145.20 g/mol, XLogP of -0.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5S)-1-ethylpiperidine-3,5-diol is sourced from PubChem (CID 96570686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).