3,5-dimethylpiperidin-4-ol;ethane

C9H21NO — CID 176666809

IUPAC3,5-dimethylpiperidin-4-ol;ethane
SMILESCC.CC1CNCC(C)C1O
InChIInChI=1S/C7H15NO.C2H6/c1-5-3-8-4-6(2)7(5)9;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyHLLYIDCCNFTATL-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.25
Rot. Bonds

About 3,5-dimethylpiperidin-4-ol;ethane

3,5-dimethylpiperidin-4-ol;ethane (PubChem CID 176666809) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3,5-dimethylpiperidin-4-ol;ethane.

Molecular Properties

Compound Name3,5-dimethylpiperidin-4-ol;ethane
PubChem CID176666809
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3,5-dimethylpiperidin-4-ol;ethane
SMILESCC.CC1CNCC(C)C1O
InChIInChI=1S/C7H15NO.C2H6/c1-5-3-8-4-6(2)7(5)9;1-2/h5-9H,3-4H2,1-2H3;1-2H3
InChIKeyHLLYIDCCNFTATL-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
(3R,4S,5R,6R)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950388
(3R,4S,5R,6S)-6-methylazepane-3,4,5-triol;hydrochloride
CID 56950390
3-ethyl-5-methylpiperidin-4-ol
CID 20773336
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
ethane;3-methylazetidine
CID 90730870
ethane;3-fluoro-4-methylpyrrolidine
CID 144862770
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476
ethane;(4S)-3-fluoro-4-methylpyrrolidine
CID 177212529
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
CID 176666690
3,5-dimethylpiperidin-4-amine
CID 10171243
(4-methylpyrrolidin-3-yl)methanol
CID 23396990

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethylpiperidin-4-ol;ethane?
The IUPAC name of 3,5-dimethylpiperidin-4-ol;ethane (CID 176666809) is 3,5-dimethylpiperidin-4-ol;ethane.
What is the SMILES notation for 3,5-dimethylpiperidin-4-ol;ethane?
The canonical SMILES for 3,5-dimethylpiperidin-4-ol;ethane is CC.CC1CNCC(C)C1O.
What is the InChIKey of 3,5-dimethylpiperidin-4-ol;ethane?
The InChIKey is HLLYIDCCNFTATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.C2H6/c1-5-3-8-4-6(2)7(5)9;1-2/h5-9H,3-4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethylpiperidin-4-ol;ethane?
3,5-dimethylpiperidin-4-ol;ethane has a molecular weight of 159.27 g/mol, XLogP of 1.25, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethylpiperidin-4-ol;ethane is sourced from PubChem (CID 176666809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).