2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol

C11H23NO2 — CID 117239485

IUPAC2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
SMILESCC(C)N1CCC(C(CO)CO)CC1
InChIInChI=1S/C11H23NO2/c1-9(2)12-5-3-10(4-6-12)11(7-13)8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyPDFIDTKQPJOQKD-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.71
Rot. Bonds4

About 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol

2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol (PubChem CID 117239485) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol.

Molecular Properties

Compound Name2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
PubChem CID117239485
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
SMILESCC(C)N1CCC(C(CO)CO)CC1
InChIInChI=1S/C11H23NO2/c1-9(2)12-5-3-10(4-6-12)11(7-13)8-14/h9-11,13-14H,3-8H2,1-2H3
InChIKeyPDFIDTKQPJOQKD-UHFFFAOYSA-N
XLogP0.71
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
CID 117238997
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
1,4-di(propan-2-yl)piperidine
CID 21303253
3-(azepan-1-yl)-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237668
2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 117238981
3-(2-methylphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239253
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
3-[3-hydroxy-2-(1-propan-2-ylpiperidin-4-yl)propoxy]phenol
CID 117239349
3-(3-methoxyphenoxy)-2-(1-propan-2-ylpiperidin-4-yl)propan-1-ol
CID 117239350
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
2-(1-propan-2-ylpiperidin-4-yl)-3-pyrrolidin-1-ylpropan-1-amine
CID 117239088

Frequently Asked Questions

What is the IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol?
The IUPAC name of 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol (CID 117239485) is 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol.
What is the SMILES notation for 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol?
The canonical SMILES for 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol is CC(C)N1CCC(C(CO)CO)CC1.
What is the InChIKey of 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol?
The InChIKey is PDFIDTKQPJOQKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9(2)12-5-3-10(4-6-12)11(7-13)8-14/h9-11,13-14H,3-8H2,1-2H3.
What are the key properties of 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol?
2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol has a molecular weight of 201.31 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol is sourced from PubChem (CID 117239485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).