4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol

C9H19NO3 — CID 146709504

IUPAC4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol
SMILESCC1C(O)C(CO)C(CO)CN1C
InChIInChI=1S/C9H19NO3/c1-6-9(13)8(5-12)7(4-11)3-10(6)2/h6-9,11-13H,3-5H2,1-2H3
InChIKeyPKJNQCVFPUYMRD-UHFFFAOYSA-N
MW189.25 g/mol
LogP-1.10
Rot. Bonds2

About 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol

4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol (PubChem CID 146709504) has the molecular formula C9H19NO3 and a molecular weight of 189.25 g/mol. Its IUPAC name is 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol.

Molecular Properties

Compound Name4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol
PubChem CID146709504
Molecular FormulaC9H19NO3
Molecular Weight189.25 g/mol
Exact Mass189.14
IUPAC Name4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol
SMILESCC1C(O)C(CO)C(CO)CN1C
InChIInChI=1S/C9H19NO3/c1-6-9(13)8(5-12)7(4-11)3-10(6)2/h6-9,11-13H,3-5H2,1-2H3
InChIKeyPKJNQCVFPUYMRD-UHFFFAOYSA-N
XLogP-1.10
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.25
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5R)-5-(hydroxymethyl)-1-(4-methylpentyl)piperidine-3,4-diol
CID 67509458
(2R,3R,4R)-2-(hydroxymethyl)-1-(4-methylpentyl)piperidine-3,4-diol
CID 118986941
3,4-Piperidinediol, 1-butyl-5-(hydroxymethyl)-, (3R,4R,5R)-
CID 10130427
(2R,3R,4R)-1-(cyclopentylmethyl)-2-(hydroxymethyl)piperidine-3,4-diol
CID 118986940
(3R,4R,5R)-5-(hydroxymethyl)-1-pentylpiperidine-3,4-diol
CID 67508445
(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol
CID 67509469
(3R,4R,5R)-1-heptyl-5-(hydroxymethyl)piperidine-3,4-diol
CID 67509603
1,5,6-Trimethyl-3-piperidinol
CID 3939577
(1S)-1-[(3S)-1-(2-hydroxyethyl)piperidin-3-yl]ethanol
CID 129498665
1,2,5-Trimethyl-4-(1',2'-dihydroxyethyl)piperidin-4-ol
CID 132281065
(3R,4S,5S,6R)-6-ethyl-4,5-dimethyl-1-propylpiperidin-3-ol
CID 135038487
4,5-Bis(hydroxymethyl)-2-methylpiperidin-3-ol
CID 5242897

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol?
The IUPAC name of 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol (CID 146709504) is 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol.
What is the SMILES notation for 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol?
The canonical SMILES for 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol is CC1C(O)C(CO)C(CO)CN1C.
What is the InChIKey of 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol?
The InChIKey is PKJNQCVFPUYMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO3/c1-6-9(13)8(5-12)7(4-11)3-10(6)2/h6-9,11-13H,3-5H2,1-2H3.
What are the key properties of 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol?
4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol has a molecular weight of 189.25 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(hydroxymethyl)-1,2-dimethylpiperidin-3-ol is sourced from PubChem (CID 146709504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).