2-piperidin-2-ylpropane-1,3-diol

C8H17NO2 — CID 15749478

IUPAC2-piperidin-2-ylpropane-1,3-diol
SMILESOCC(CO)C1CCCCN1
InChIInChI=1S/C8H17NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h7-11H,1-6H2
InChIKeyRYJUIMXGFIJMKI-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds3

About 2-piperidin-2-ylpropane-1,3-diol

2-piperidin-2-ylpropane-1,3-diol (PubChem CID 15749478) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-piperidin-2-ylpropane-1,3-diol.

Molecular Properties

Compound Name2-piperidin-2-ylpropane-1,3-diol
PubChem CID15749478
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-piperidin-2-ylpropane-1,3-diol
SMILESOCC(CO)C1CCCCN1
InChIInChI=1S/C8H17NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h7-11H,1-6H2
InChIKeyRYJUIMXGFIJMKI-UHFFFAOYSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-2-yl)ethane-1,2-diol
CID 115006977
(2S)-2-pentan-3-ylpiperidine
CID 7048107
2-pentan-3-ylpiperidine
CID 4527381
(2R)-4-methyl-2-[(2S)-piperidin-2-yl]pentan-1-amine
CID 95241637
(2R)-4-methyl-2-[(2R)-piperidin-2-yl]pentan-1-amine
CID 95241639
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
(3S)-3-[(2S)-piperidin-2-yl]-3-(propan-2-ylamino)propan-1-ol
CID 97174949
2-[5-(2-hydroxyethoxy)-3-pyrrolidin-2-ylpentoxy]ethanol
CID 173373058
ethyl 3-piperidin-2-ylpentanoate
CID 67315004
ethane;2-propan-2-ylpiperidine
CID 154671868
(2R)-2-propan-2-ylazepane
CID 7048221

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-2-ylpropane-1,3-diol?
The IUPAC name of 2-piperidin-2-ylpropane-1,3-diol (CID 15749478) is 2-piperidin-2-ylpropane-1,3-diol.
What is the SMILES notation for 2-piperidin-2-ylpropane-1,3-diol?
The canonical SMILES for 2-piperidin-2-ylpropane-1,3-diol is OCC(CO)C1CCCCN1.
What is the InChIKey of 2-piperidin-2-ylpropane-1,3-diol?
The InChIKey is RYJUIMXGFIJMKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c10-5-7(6-11)8-3-1-2-4-9-8/h7-11H,1-6H2.
What are the key properties of 2-piperidin-2-ylpropane-1,3-diol?
2-piperidin-2-ylpropane-1,3-diol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-2-ylpropane-1,3-diol is sourced from PubChem (CID 15749478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).