(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol

C9H19NO — CID 135009947

IUPAC(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol
SMILESCC[C@H]1NC[C@H](O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-4-8-6(2)7(3)9(11)5-10-8/h6-11H,4-5H2,1-3H3/t6-,7-,8+,9-/m0/s1
InChIKeyUFQNMCLYHRODOB-MAUMQABQSA-N
MW157.26 g/mol
LogP1.00
Rot. Bonds1

About (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol

(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol (PubChem CID 135009947) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol
PubChem CID135009947
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol
SMILESCC[C@H]1NC[C@H](O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C9H19NO/c1-4-8-6(2)7(3)9(11)5-10-8/h6-11H,4-5H2,1-3H3/t6-,7-,8+,9-/m0/s1
InChIKeyUFQNMCLYHRODOB-MAUMQABQSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Piperidin-2-yl)propan-1-ol
CID 10314
(3S,6S)-6-Propyl-3-piperidinol
CID 120641
Conhydrine
CID 11744748
US8604206, (3R,4R,5S)-5-((R)-1-fluoropropyl)-piperidine-3,4-diol hydrochloride
CID 91824849
US9796680, Example 15
CID 126501551
2,2,5-Trimethylpiperidin-3-ol
CID 3956268
US10081601, Example 1
CID 118197630
US10081601, Example 12
CID 118197652
US10081601, Example 13
CID 118197720
(3-Methylpiperidin-2-yl)methanol
CID 19898861
Pseudo-conhydrine
CID 73805498
3-(3-Methylpiperidin-2-yl)propan-1-ol;hydrochloride
CID 90668992

Frequently Asked Questions

What is the IUPAC name of (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol?
The IUPAC name of (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol (CID 135009947) is (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol.
What is the SMILES notation for (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol?
The canonical SMILES for (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol is CC[C@H]1NC[C@H](O)[C@@H](C)[C@@H]1C.
What is the InChIKey of (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol?
The InChIKey is UFQNMCLYHRODOB-MAUMQABQSA-N. The full InChI is InChI=1S/C9H19NO/c1-4-8-6(2)7(3)9(11)5-10-8/h6-11H,4-5H2,1-3H3/t6-,7-,8+,9-/m0/s1.
What are the key properties of (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol?
(3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol has a molecular weight of 157.26 g/mol, XLogP of 1.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S,5S,6R)-6-ethyl-4,5-dimethylpiperidin-3-ol is sourced from PubChem (CID 135009947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).