3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol

C10H21NO3 — CID 114511014

IUPAC3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
SMILESCCC1CN(CC(O)CO)CCC1O
InChIInChI=1S/C10H21NO3/c1-2-8-5-11(4-3-10(8)14)6-9(13)7-12/h8-10,12-14H,2-7H2,1H3
InChIKeyBHQVMXCTECLDES-UHFFFAOYSA-N
MW203.28 g/mol
LogP-0.57
Rot. Bonds4

About 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol

3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol (PubChem CID 114511014) has the molecular formula C10H21NO3 and a molecular weight of 203.28 g/mol. Its IUPAC name is 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
PubChem CID114511014
Molecular FormulaC10H21NO3
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol
SMILESCCC1CN(CC(O)CO)CCC1O
InChIInChI=1S/C10H21NO3/c1-2-8-5-11(4-3-10(8)14)6-9(13)7-12/h8-10,12-14H,2-7H2,1H3
InChIKeyBHQVMXCTECLDES-UHFFFAOYSA-N
XLogP-0.57
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 ≤ 5-0.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cyclopentyl-2-hydroxypropyl)-3-ethylpiperidin-4-ol
CID 103161296
(3R,4S)-1,3-diethylpiperidin-4-ol
CID 129380803
3-[(3R)-3-hydroxypyrrolidin-1-yl]propane-1,2-diol
CID 103857755
3-(3-propan-2-ylpyrrolidin-1-yl)propane-1,2-diol
CID 115773094
3-(3-methylpyrrolidin-1-yl)propane-1,2-diol
CID 23396961
3-ethyl-1-(2-methylidenebutyl)piperidin-4-ol
CID 114511194
1-[2-(dimethylamino)ethyl]-3-ethylpiperidin-4-ol
CID 114511210
1-(4-amino-3-ethylpiperidin-1-yl)butan-2-ol
CID 81458861
3-(3-aminopyrrolidin-1-yl)propane-1,2-diol
CID 115492032
3-[(3R)-3-aminopyrrolidin-1-yl]propane-1,2-diol
CID 82850969
1-(2,3-dihydroxypropyl)pyrrolidine-3-carboxylic acid
CID 57486049
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol (CID 114511014) is 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol is CCC1CN(CC(O)CO)CCC1O.
What is the InChIKey of 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol?
The InChIKey is BHQVMXCTECLDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO3/c1-2-8-5-11(4-3-10(8)14)6-9(13)7-12/h8-10,12-14H,2-7H2,1H3.
What are the key properties of 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol?
3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol has a molecular weight of 203.28 g/mol, XLogP of -0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-4-hydroxypiperidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 114511014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).