1-(1-hydroxypropan-2-yl)piperidin-3-ol

C8H17NO2 — CID 77452138

IUPAC1-(1-hydroxypropan-2-yl)piperidin-3-ol
SMILESCC(CO)N1CCCC(O)C1
InChIInChI=1S/C8H17NO2/c1-7(6-10)9-4-2-3-8(11)5-9/h7-8,10-11H,2-6H2,1H3
InChIKeyUGKDBUNULVEIFY-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.18
Rot. Bonds2

About 1-(1-hydroxypropan-2-yl)piperidin-3-ol

1-(1-hydroxypropan-2-yl)piperidin-3-ol (PubChem CID 77452138) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(1-hydroxypropan-2-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-(1-hydroxypropan-2-yl)piperidin-3-ol
PubChem CID77452138
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(1-hydroxypropan-2-yl)piperidin-3-ol
SMILESCC(CO)N1CCCC(O)C1
InChIInChI=1S/C8H17NO2/c1-7(6-10)9-4-2-3-8(11)5-9/h7-8,10-11H,2-6H2,1H3
InChIKeyUGKDBUNULVEIFY-UHFFFAOYSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-cyclopropylpropan-2-yl)piperidin-3-ol
CID 130652123
fluoromethane;1-propan-2-ylpiperidin-3-ol
CID 176976990
1-(1-cyclopropylethyl)piperidin-3-ol
CID 130668092
(3S)-1-[(2S)-1-phenylpropan-2-yl]piperidin-3-ol
CID 129494667
(3R)-1-propan-2-ylazepan-3-ol
CID 162493716
2-[4-(1-hydroxypropan-2-yl)-1,4-diazepan-1-yl]propan-1-ol
CID 58861594
methanol;2-pyrrolidin-1-ylpropan-1-ol
CID 172620475
acetonitrile;1-propan-2-ylpiperidin-3-ol
CID 144865621
(3S)-1-hex-3-yn-2-ylpiperidin-3-ol
CID 127013295
2-(1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl)propan-1-ol
CID 131167890
3-[(3S)-3-hydroxypiperidin-1-yl]-2-methylbutanoic acid
CID 107225641
methyl 2-[(3S)-3-hydroxypiperidin-1-yl]propanoate
CID 107225880

Frequently Asked Questions

What is the IUPAC name of 1-(1-hydroxypropan-2-yl)piperidin-3-ol?
The IUPAC name of 1-(1-hydroxypropan-2-yl)piperidin-3-ol (CID 77452138) is 1-(1-hydroxypropan-2-yl)piperidin-3-ol.
What is the SMILES notation for 1-(1-hydroxypropan-2-yl)piperidin-3-ol?
The canonical SMILES for 1-(1-hydroxypropan-2-yl)piperidin-3-ol is CC(CO)N1CCCC(O)C1.
What is the InChIKey of 1-(1-hydroxypropan-2-yl)piperidin-3-ol?
The InChIKey is UGKDBUNULVEIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-7(6-10)9-4-2-3-8(11)5-9/h7-8,10-11H,2-6H2,1H3.
What are the key properties of 1-(1-hydroxypropan-2-yl)piperidin-3-ol?
1-(1-hydroxypropan-2-yl)piperidin-3-ol has a molecular weight of 159.23 g/mol, XLogP of -0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-hydroxypropan-2-yl)piperidin-3-ol is sourced from PubChem (CID 77452138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).