(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol

C9H17NO2 — CID 167702262

IUPAC(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol
SMILESCC/C(O)=C/[C@H]1NCCC[C@H]1O
InChIInChI=1S/C9H17NO2/c1-2-7(11)6-8-9(12)4-3-5-10-8/h6,8-12H,2-5H2,1H3/b7-6-/t8-,9-/m1/s1
InChIKeyYXHWJOCGJUSJHK-IEKVDETDSA-N
MW171.24 g/mol
LogP0.95
Rot. Bonds2

About (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol

(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol (PubChem CID 167702262) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol
PubChem CID167702262
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol
SMILESCC/C(O)=C/[C@H]1NCCC[C@H]1O
InChIInChI=1S/C9H17NO2/c1-2-7(11)6-8-9(12)4-3-5-10-8/h6,8-12H,2-5H2,1H3/b7-6-/t8-,9-/m1/s1
InChIKeyYXHWJOCGJUSJHK-IEKVDETDSA-N
XLogP0.95
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-ethylpiperidin-3-ol;hydrochloride
CID 115013101
(2S,3S)-2-butylpiperidin-3-ol
CID 102039830
2-[(E)-pent-2-en-3-yl]pyrrolidine
CID 55299254
(2S,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287221
2-phenylpiperidin-3-ol
CID 18782643
azepane-2,3,4-triol
CID 18417369
2-[(E)-3-(5-bromo-4-methylbenzimidazol-1-yl)-2-methylprop-1-enyl]piperidin-3-ol
CID 135304299
1-[(2S,3R)-3-hydroxypiperidin-2-yl]propan-2-one
CID 130847336
3-hydroxypiperidine-2-carboxylic acid;hydrochloride
CID 72996039
(3R)-3-hydroxypyrrolidine-2-carbaldehyde
CID 174721320
1-pyrrolidin-2-ylpentan-2-ol
CID 90756268
(2R)-3-[(2S,3R)-3-hydroxypiperidin-2-yl]propane-1,2-diol
CID 131020224

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol?
The IUPAC name of (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol (CID 167702262) is (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol.
What is the SMILES notation for (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol?
The canonical SMILES for (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol is CC/C(O)=C/[C@H]1NCCC[C@H]1O.
What is the InChIKey of (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol?
The InChIKey is YXHWJOCGJUSJHK-IEKVDETDSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-7(11)6-8-9(12)4-3-5-10-8/h6,8-12H,2-5H2,1H3/b7-6-/t8-,9-/m1/s1.
What are the key properties of (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol?
(2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol has a molecular weight of 171.24 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[(Z)-2-hydroxybut-1-enyl]piperidin-3-ol is sourced from PubChem (CID 167702262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).