1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol

C10H21NO2 — CID 117238997

IUPAC1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
SMILESCC(C)N1CCC(C(O)CO)CC1
InChIInChI=1S/C10H21NO2/c1-8(2)11-5-3-9(4-6-11)10(13)7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyJGBQRQHFYDXLAI-UHFFFAOYSA-N
MW187.28 g/mol
LogP0.46
Rot. Bonds3

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

1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol (PubChem CID 117238997) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
PubChem CID117238997
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol
SMILESCC(C)N1CCC(C(O)CO)CC1
InChIInChI=1S/C10H21NO2/c1-8(2)11-5-3-9(4-6-11)10(13)7-12/h8-10,12-13H,3-7H2,1-2H3
InChIKeyJGBQRQHFYDXLAI-UHFFFAOYSA-N
XLogP0.46
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-propan-2-ylpiperidin-4-yl)propane-1,3-diol
CID 117239485
2-methylsulfanyl-1-(1-propan-2-ylpiperidin-4-yl)ethanol
CID 117238981
(1S)-1-(1-methylpiperidin-4-yl)ethane-1,2-diol
CID 143640316
1,4-di(propan-2-yl)piperidine
CID 21303253
butane;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;ethane
CID 168928365
1-cyclopropyl-2-(4-propan-2-ylpiperazin-1-yl)ethanol
CID 63908037
3-amino-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117237622
4-(1-iodoethyl)-1-propan-2-ylpiperidine
CID 126675083
3-methylsulfanyl-2-(1-propan-2-ylpyrrolidin-3-yl)propan-1-ol
CID 117238037
ethane;1-(1-propan-2-ylpyrrolidin-3-yl)ethanol
CID 176573515
methane;1-(1-propan-2-ylpiperidin-4-yl)ethanamine
CID 158419714
1-propan-2-yl-4-(1-propan-2-ylpiperidin-4-yl)piperidine
CID 59059970

Frequently Asked Questions

What is the IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol?
The IUPAC name of 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol (CID 117238997) is 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol.
What is the SMILES notation for 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol?
The canonical SMILES for 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol is CC(C)N1CCC(C(O)CO)CC1.
What is the InChIKey of 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol?
The InChIKey is JGBQRQHFYDXLAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-8(2)11-5-3-9(4-6-11)10(13)7-12/h8-10,12-13H,3-7H2,1-2H3.
What are the key properties of 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol?
1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol has a molecular weight of 187.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propan-2-ylpiperidin-4-yl)ethane-1,2-diol is sourced from PubChem (CID 117238997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).