3-(3-methylpiperidin-1-yl)propane-1,2-diol

C9H19NO2 — CID 115569675

IUPAC3-(3-methylpiperidin-1-yl)propane-1,2-diol
SMILESCC1CCCN(CC(O)CO)C1
InChIInChI=1S/C9H19NO2/c1-8-3-2-4-10(5-8)6-9(12)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyCOXWNZCDSFZHHX-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.07
Rot. Bonds3

About 3-(3-methylpiperidin-1-yl)propane-1,2-diol

3-(3-methylpiperidin-1-yl)propane-1,2-diol (PubChem CID 115569675) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(3-methylpiperidin-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(3-methylpiperidin-1-yl)propane-1,2-diol
PubChem CID115569675
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(3-methylpiperidin-1-yl)propane-1,2-diol
SMILESCC1CCCN(CC(O)CO)C1
InChIInChI=1S/C9H19NO2/c1-8-3-2-4-10(5-8)6-9(12)7-11/h8-9,11-12H,2-7H2,1H3
InChIKeyCOXWNZCDSFZHHX-UHFFFAOYSA-N
XLogP0.07
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Piperidinopropane-1,2-diol
CID 97824
(3R,4R,5R)-5-(hydroxymethyl)-1-(4-methylpentyl)piperidine-3,4-diol
CID 67509458
3,4-Piperidinediol, 1-butyl-5-(hydroxymethyl)-, (3R,4R,5R)-
CID 10130427
1-t-Butyl-3-methyl-4-hydroxypiperidine
CID 3613566
1,3,5-Trimethylpiperidin-4-ol
CID 91446778
1-(2-Methylpropyl)piperidin-4-ol
CID 12725714
1-Butyl-5-methyl-piperidine-3,4-diol
CID 44368231
1-Butyl-piperidine-3,4,5-triol
CID 44368239
(3R,4R,5R)-5-(hydroxymethyl)-1-pentylpiperidine-3,4-diol
CID 67508445
(3R,4R,5R)-5-(hydroxymethyl)-1-propylpiperidine-3,4-diol
CID 67509469
1-(3,5-Dimethylpiperidin-1-yl)-3-(tert-pentyloxy)propan-2-ol hydrochloride
CID 16958190
1-Butoxy-3-(3,5-dimethylpiperidin-1-yl)propan-2-ol hydrochloride
CID 16958271

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylpiperidin-1-yl)propane-1,2-diol?
The IUPAC name of 3-(3-methylpiperidin-1-yl)propane-1,2-diol (CID 115569675) is 3-(3-methylpiperidin-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(3-methylpiperidin-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(3-methylpiperidin-1-yl)propane-1,2-diol is CC1CCCN(CC(O)CO)C1.
What is the InChIKey of 3-(3-methylpiperidin-1-yl)propane-1,2-diol?
The InChIKey is COXWNZCDSFZHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-8-3-2-4-10(5-8)6-9(12)7-11/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 3-(3-methylpiperidin-1-yl)propane-1,2-diol?
3-(3-methylpiperidin-1-yl)propane-1,2-diol has a molecular weight of 173.26 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylpiperidin-1-yl)propane-1,2-diol is sourced from PubChem (CID 115569675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).