(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol

C8H17NO2 — CID 166167558

IUPAC(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
SMILESCN1CC[C@](C)(CO)[C@H](O)C1
InChIInChI=1S/C8H17NO2/c1-8(6-10)3-4-9(2)5-7(8)11/h7,10-11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGLHFZGOHWLTFQP-HTQZYQBOSA-N
MW159.23 g/mol
LogP-0.32
Rot. Bonds1

About (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol

(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol (PubChem CID 166167558) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
PubChem CID166167558
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
SMILESCN1CC[C@](C)(CO)[C@H](O)C1
InChIInChI=1S/C8H17NO2/c1-8(6-10)3-4-9(2)5-7(8)11/h7,10-11H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyGLHFZGOHWLTFQP-HTQZYQBOSA-N
XLogP-0.32
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (3S,4R)-3-hydroxy-4-(hydroxymethyl)-4-methylpiperidine-1-carboxylate
CID 124523455
(1,4-dimethylpiperidin-4-yl)methanol;ethane
CID 142863096
(1,4,4-trimethylpiperidin-3-yl)methanol
CID 117025806
[4-(cyclopropylmethyl)-1-methylpiperidin-4-yl]methanol
CID 70641658
[1-(hydroxymethyl)cyclopropyl]-(1-methylpyrrolidin-3-yl)methanone
CID 116921208
(4-amino-1,3-dimethylpiperidin-3-yl)methanol
CID 18685130
3-(1-hydroxyethyl)-1,4-dimethylpiperidin-4-ol
CID 130123561
(4-fluoro-1-methylpiperidin-4-yl)methanol
CID 24729611
2-(hydroxymethyl)-2-methyl-5-propan-2-ylcyclohexan-1-ol
CID 130150641
1,4-dimethyl-1,4-diazepan-6-ol
CID 14999065
ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 122450703

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The IUPAC name of (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol (CID 166167558) is (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol.
What is the SMILES notation for (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The canonical SMILES for (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol is CN1CC[C@](C)(CO)[C@H](O)C1.
What is the InChIKey of (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
The InChIKey is GLHFZGOHWLTFQP-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(6-10)3-4-9(2)5-7(8)11/h7,10-11H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol?
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol is sourced from PubChem (CID 166167558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).