2-(hydroxymethyl)-3-methylpiperidin-4-ol

C7H15NO2 — CID 77387082

IUPAC2-(hydroxymethyl)-3-methylpiperidin-4-ol
SMILESCC1C(O)CCNC1CO
InChIInChI=1S/C7H15NO2/c1-5-6(4-9)8-3-2-7(5)10/h5-10H,2-4H2,1H3
InChIKeyZKIYNNRREWUUDW-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.66
Rot. Bonds1

About 2-(hydroxymethyl)-3-methylpiperidin-4-ol

2-(hydroxymethyl)-3-methylpiperidin-4-ol (PubChem CID 77387082) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-methylpiperidin-4-ol
PubChem CID77387082
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(hydroxymethyl)-3-methylpiperidin-4-ol
SMILESCC1C(O)CCNC1CO
InChIInChI=1S/C7H15NO2/c1-5-6(4-9)8-3-2-7(5)10/h5-10H,2-4H2,1H3
InChIKeyZKIYNNRREWUUDW-UHFFFAOYSA-N
XLogP-0.66
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-(hydroxymethyl)pyrrolidin-3-ol
CID 54340286
2-(hydroxymethyl)pyrrolidin-3-ol;hydrochloride
CID 73200189
[(2S,3R)-3-methylpyrrolidin-2-yl]methanol
CID 66599997
(2S,3R,4R)-2,3-dimethylpiperidin-4-ol
CID 7238900
(2R,3R,4R)-2-(hydroxymethyl)piperidine-3,4-diol;(2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
CID 159507327
[(2S,3R)-3-methylpiperazin-2-yl]methanol
CID 125425294
(3-methylpiperidin-2-yl)methanol
CID 19898861
(2R,3S)-2-methylpyrrolidin-3-ol
CID 55287364
[(2R,3S)-3-phenylpyrrolidin-2-yl]methanol
CID 98008478
(3-methylpiperidin-2-yl)methanol;hydrochloride
CID 71756911
(2S,3R)-2-methylpyrrolidin-3-ol;hydrochloride
CID 67314682
(2S,3S,4R)-4-hydroxy-3-methylpiperidine-2-carboxylic acid
CID 15643990

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-methylpiperidin-4-ol?
The IUPAC name of 2-(hydroxymethyl)-3-methylpiperidin-4-ol (CID 77387082) is 2-(hydroxymethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for 2-(hydroxymethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for 2-(hydroxymethyl)-3-methylpiperidin-4-ol is CC1C(O)CCNC1CO.
What is the InChIKey of 2-(hydroxymethyl)-3-methylpiperidin-4-ol?
The InChIKey is ZKIYNNRREWUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-5-6(4-9)8-3-2-7(5)10/h5-10H,2-4H2,1H3.
What are the key properties of 2-(hydroxymethyl)-3-methylpiperidin-4-ol?
2-(hydroxymethyl)-3-methylpiperidin-4-ol has a molecular weight of 145.20 g/mol, XLogP of -0.66, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 77387082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).