3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol

C10H21NO3 — CID 129236515

IUPAC3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
SMILESCN1CC(CCO)C(O)C(CCO)C1
InChIInChI=1S/C10H21NO3/c1-11-6-8(2-4-12)10(14)9(7-11)3-5-13/h8-10,12-14H,2-7H2,1H3
InChIKeyAZBDCTOACYYMAZ-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.71
Rot. Bonds4

About 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol

3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol (PubChem CID 129236515) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol.

Molecular Properties

Compound Name3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
PubChem CID129236515
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol
SMILESCN1CC(CCO)C(O)C(CCO)C1
InChIInChI=1S/C10H21NO3/c1-11-6-8(2-4-12)10(14)9(7-11)3-5-13/h8-10,12-14H,2-7H2,1H3
InChIKeyAZBDCTOACYYMAZ-UHFFFAOYSA-N
XLogP-0.71
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R,5R)-5-(hydroxymethyl)-1-methylpiperidine-3,4-diol;hydrochloride
CID 172714934
3-(4-amino-1-methylpyrrolidin-3-yl)propan-1-ol
CID 91381665
3,4-bis[2-[4-[2-(4-ethyl-1-methylpyrrolidin-3-yl)ethyl]-1-methylpyrrolidin-3-yl]ethyl]-1-methylpyrrolidine
CID 90382204
4-butyl-1-methylpyrrolidin-3-ol
CID 140584543
[(3S,4R)-4-fluoro-1-methylpyrrolidin-3-yl]methanol
CID 147748171
(3R,4R)-4-(methoxymethyl)-1-methylpyrrolidin-3-ol
CID 140507745
2-[2-(1-methylpiperidin-4-yl)cyclopropyl]ethanol
CID 58128523
[(3R,4R)-1-methyl-4-(trifluoromethyl)pyrrolidin-3-yl]methanol
CID 177157260
(4R)-3-(hydroxymethyl)-1-methylpiperidin-4-ol
CID 142983672
ethane;(4-methoxy-1-methylpyrrolidin-3-yl)methanol
CID 164904424
10-(hydroxymethyl)-4-methyl-4-azatricyclo[5.2.2.02,6]undecane-8,9-diol
CID 146675348
1-(4-hydroxy-1-methylpyrrolidin-3-yl)ethanone
CID 59878538

Frequently Asked Questions

What is the IUPAC name of 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol?
The IUPAC name of 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol (CID 129236515) is 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol.
What is the SMILES notation for 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol?
The canonical SMILES for 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol is CN1CC(CCO)C(O)C(CCO)C1.
What is the InChIKey of 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol?
The InChIKey is AZBDCTOACYYMAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-11-6-8(2-4-12)10(14)9(7-11)3-5-13/h8-10,12-14H,2-7H2,1H3.
What are the key properties of 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol?
3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol has a molecular weight of 203.28 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-bis(2-hydroxyethyl)-1-methylpiperidin-4-ol is sourced from PubChem (CID 129236515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).