(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol

C8H17NO2 — CID 171842996

IUPAC(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
SMILESC[C@@](O)(CO)[C@@H]1CCCNC1
InChIInChI=1S/C8H17NO2/c1-8(11,6-10)7-3-2-4-9-5-7/h7,9-11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMLWSXVBBEZLNMV-HTQZYQBOSA-N
MW159.23 g/mol
LogP-0.27
Rot. Bonds2

About (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol

(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol (PubChem CID 171842996) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol.

Molecular Properties

Compound Name(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
PubChem CID171842996
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol
SMILESC[C@@](O)(CO)[C@@H]1CCCNC1
InChIInChI=1S/C8H17NO2/c1-8(11,6-10)7-3-2-4-9-5-7/h7,9-11H,2-6H2,1H3/t7-,8-/m1/s1
InChIKeyMLWSXVBBEZLNMV-HTQZYQBOSA-N
XLogP-0.27
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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

2-methyl-2-piperidin-3-ylpropan-1-ol
CID 83200214
2-piperidin-3-ylbutan-2-ol
CID 63586087
5,5-dimethyl-2-piperidin-3-ylhexan-2-ol
CID 65146059
2-piperidin-3-ylpentan-2-ol
CID 63586269
(2R)-2-fluoro-2-[(3S)-piperidin-3-yl]propan-1-ol
CID 171842824
2-piperidin-3-yloctan-2-ol
CID 65146111
(3R)-3-tert-butylpiperidine
CID 59772800
1-cycloheptyl-1-piperidin-3-ylethanol
CID 82929213
4-amino-3,3-dimethyl-2-piperidin-3-ylbutan-2-ol
CID 79135325
2-pyrrolidin-3-ylbutan-2-ol
CID 105428542
2-hydroxy-2-piperidin-3-ylpropanenitrile
CID 173142831
4-methyl-2-piperidin-3-ylpent-3-en-2-ol
CID 79190336

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol?
The IUPAC name of (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol (CID 171842996) is (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol.
What is the SMILES notation for (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol?
The canonical SMILES for (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol is C[C@@](O)(CO)[C@@H]1CCCNC1.
What is the InChIKey of (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol?
The InChIKey is MLWSXVBBEZLNMV-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H17NO2/c1-8(11,6-10)7-3-2-4-9-5-7/h7,9-11H,2-6H2,1H3/t7-,8-/m1/s1.
What are the key properties of (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol?
(2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol has a molecular weight of 159.23 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3R)-piperidin-3-yl]propane-1,2-diol is sourced from PubChem (CID 171842996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).