[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol

C8H17NO — CID 176666690

IUPAC[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CNC[C@H](C)C1CO
InChIInChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyRQPCZZRABRDHKI-DHBOJHSNSA-N
MW143.23 g/mol
LogP0.47
Rot. Bonds1

About [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol

[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol (PubChem CID 176666690) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
PubChem CID176666690
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol
SMILESC[C@@H]1CNC[C@H](C)C1CO
InChIInChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?
InChIKeyRQPCZZRABRDHKI-DHBOJHSNSA-N
XLogP0.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpyrrolidin-3-yl)methanol
CID 23396990
[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 157146152
cis-(1S,2S)-2-(hydroxymethyl)-3-methylcyclopentan-1-ol
CID 162070129
(3S,4R,5S)-5-methylpiperidine-3,4-diol;hydrochloride
CID 146675644
3,5-dimethylpiperidin-4-ol;ethane
CID 176666809
tert-butyl formate;[(3S,4S)-4-methylpyrrolidin-3-yl]methanol
CID 174718182
(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
(3R,4R)-4-methylpyrrolidin-3-ol;hydrochloride
CID 67314821
acetaldehyde;(3S,4R)-3,4-dimethylpyrrolidine;ethane
CID 143696476
[(2R,6R)-6-methylpiperazin-2-yl]methanol
CID 146306061
[(3S,4S)-4-aminopyrrolidin-3-yl]methanol
CID 10866309

Frequently Asked Questions

What is the IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The IUPAC name of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol (CID 176666690) is [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol.
What is the SMILES notation for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The canonical SMILES for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol is C[C@@H]1CNC[C@H](C)C1CO.
What is the InChIKey of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
The InChIKey is RQPCZZRABRDHKI-DHBOJHSNSA-N. The full InChI is InChI=1S/C8H17NO/c1-6-3-9-4-7(2)8(6)5-10/h6-10H,3-5H2,1-2H3/t6-,7+,8?.
What are the key properties of [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol?
[(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol has a molecular weight of 143.23 g/mol, XLogP of 0.47, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,5S)-3,5-dimethylpiperidin-4-yl]methanol is sourced from PubChem (CID 176666690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).