1-(2-hydroxypropyl)-4-methylpiperidin-4-ol

C9H19NO2 — CID 81103491

IUPAC1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
SMILESCC(O)CN1CCC(C)(O)CC1
InChIInChI=1S/C9H19NO2/c1-8(11)7-10-5-3-9(2,12)4-6-10/h8,11-12H,3-7H2,1-2H3
InChIKeyPZAORTJQGRONGT-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.21
Rot. Bonds2

About 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol

1-(2-hydroxypropyl)-4-methylpiperidin-4-ol (PubChem CID 81103491) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol.

Molecular Properties

Compound Name1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
PubChem CID81103491
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-(2-hydroxypropyl)-4-methylpiperidin-4-ol
SMILESCC(O)CN1CCC(C)(O)CC1
InChIInChI=1S/C9H19NO2/c1-8(11)7-10-5-3-9(2,12)4-6-10/h8,11-12H,3-7H2,1-2H3
InChIKeyPZAORTJQGRONGT-UHFFFAOYSA-N
XLogP0.21
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxybutyl)-4-methylpiperidin-4-ol
CID 80703400
1-[4,7-bis(2-hydroxypropyl)-1,4,7-triazonan-1-yl]propan-2-ol
CID 4961557
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575
1-(3-bromo-2-hydroxypropyl)-4-methylpiperidin-4-ol
CID 112561820
1-(2-hydroxy-3-propan-2-yloxypropyl)-4-methylpiperidin-4-ol
CID 115826056
iron(3+);(2S)-1-[4,7,10-tris[(2S)-2-hydroxypropyl]-1,4,7,10-tetrazacyclododec-1-yl]propan-2-ol
CID 164850270
1-(2-hydroxypropyl)-4-methylpiperidine-4-carbothioamide
CID 107161389
3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanamide
CID 81116171
4-methyl-1-(2-methylbutyl)azepan-4-ol
CID 107407764
ethyl 3-(4-hydroxy-4-methylpiperidin-1-yl)-2-methylpropanoate
CID 81097454
4-methyl-1-(2-methyl-3-sulfanylpropyl)azepan-4-ol
CID 107408973
1-[10-(2-hydroxypropyl)-1,4,7,10-tetrazabicyclo[5.5.2]tetradecan-4-yl]propan-2-ol
CID 18413085

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol?
The IUPAC name of 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol (CID 81103491) is 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol.
What is the SMILES notation for 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol?
The canonical SMILES for 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol is CC(O)CN1CCC(C)(O)CC1.
What is the InChIKey of 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol?
The InChIKey is PZAORTJQGRONGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8(11)7-10-5-3-9(2,12)4-6-10/h8,11-12H,3-7H2,1-2H3.
What are the key properties of 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol?
1-(2-hydroxypropyl)-4-methylpiperidin-4-ol has a molecular weight of 173.26 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropyl)-4-methylpiperidin-4-ol is sourced from PubChem (CID 81103491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).