(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol

C8H17NO3 — CID 138510968

IUPAC(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCCN1CC[C@@H](O)C[C@H]1CO
InChIInChI=1S/C8H17NO3/c10-4-3-9-2-1-8(12)5-7(9)6-11/h7-8,10-12H,1-6H2/t7-,8+/m0/s1
InChIKeyDFQMJWZLBZZGJL-JGVFFNPUSA-N
MW175.23 g/mol
LogP-1.20
Rot. Bonds3

About (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol

(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol (PubChem CID 138510968) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol.

Molecular Properties

Compound Name(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
PubChem CID138510968
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol
SMILESOCCN1CC[C@@H](O)C[C@H]1CO
InChIInChI=1S/C8H17NO3/c10-4-3-9-2-1-8(12)5-7(9)6-11/h7-8,10-12H,1-6H2/t7-,8+/m0/s1
InChIKeyDFQMJWZLBZZGJL-JGVFFNPUSA-N
XLogP-1.20
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(hydroxymethyl)-1-nonylpiperidin-4-ol
CID 126625553
ethane;2-[2-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 143249605
1-[(4-tert-butylcyclohexyl)methyl]-2-(hydroxymethyl)piperidin-4-ol
CID 157039805
ethane;1-(2-ethoxypropyl)-2-(hydroxymethyl)piperidin-4-ol
CID 143334595
2-[3-(hydroxymethyl)morpholin-4-yl]ethanol
CID 83815724
2-[6-[4-hydroxy-2-(hydroxymethyl)piperidin-1-yl]hexylamino]benzonitrile
CID 162439464
(3R,5S)-1-(2,2-difluoroethyl)-5-(hydroxymethyl)pyrrolidin-3-ol
CID 130706866
2-(hydroxymethyl)-1-[5-[(1R)-1-(4-phenylphenyl)ethoxy]pentyl]piperidin-4-ol
CID 166785881
bis(2-(hydroxymethyl)-1-methylpiperidin-4-ol);2-methyl-6-oxa-2-azabicyclo[3.2.1]octan-7-one
CID 162168807
(3S)-1-(2-hydroxyethyl)pyrrolidin-3-ol
CID 34177188
3-[(2S,4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 68644224
3-[(4S)-4-hydroxy-2-(hydroxymethyl)pyrrolidin-1-yl]propanenitrile
CID 69419168

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol?
The IUPAC name of (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol (CID 138510968) is (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol.
What is the SMILES notation for (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol?
The canonical SMILES for (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol is OCCN1CC[C@@H](O)C[C@H]1CO.
What is the InChIKey of (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol?
The InChIKey is DFQMJWZLBZZGJL-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H17NO3/c10-4-3-9-2-1-8(12)5-7(9)6-11/h7-8,10-12H,1-6H2/t7-,8+/m0/s1.
What are the key properties of (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol?
(2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol has a molecular weight of 175.23 g/mol, XLogP of -1.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(2-hydroxyethyl)-2-(hydroxymethyl)piperidin-4-ol is sourced from PubChem (CID 138510968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).