(2S,3S)-2-prop-2-enylpiperidin-3-ol

C8H15NO — CID 55287221

IUPAC(2S,3S)-2-prop-2-enylpiperidin-3-ol
SMILESC=CC[C@@H]1NCCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8-/m0/s1
InChIKeyXKFXMDBFADPIND-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.68
Rot. Bonds2

About (2S,3S)-2-prop-2-enylpiperidin-3-ol

(2S,3S)-2-prop-2-enylpiperidin-3-ol (PubChem CID 55287221) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2S,3S)-2-prop-2-enylpiperidin-3-ol.

Molecular Properties

Compound Name(2S,3S)-2-prop-2-enylpiperidin-3-ol
PubChem CID55287221
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2S,3S)-2-prop-2-enylpiperidin-3-ol
SMILESC=CC[C@@H]1NCCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8-/m0/s1
InChIKeyXKFXMDBFADPIND-YUMQZZPRSA-N
XLogP0.68
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Microcosamine A
CID 25140000
Corydendramine B
CID 10612465
Corydendramine A
CID 10731132
(2R,3S,4S,5R)-2-prop-2-enylpiperidine-3,4,5-triol
CID 118725593
(3R,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835169
(2R,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 25231927
(2S,4S,6R)-2-ethenyl-6-methylpiperidin-4-ol
CID 55286118
(3S,4S)-4-(prop-2-enylamino)hept-6-en-3-ol
CID 134835287
(2R,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287222
6-Prop-2-enylpiperidin-3-ol
CID 67413271
1-Piperidin-2-ylbut-3-en-1-ol
CID 70541220
2-Prop-2-enylpiperidin-3-ol
CID 76224088

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-prop-2-enylpiperidin-3-ol?
The IUPAC name of (2S,3S)-2-prop-2-enylpiperidin-3-ol (CID 55287221) is (2S,3S)-2-prop-2-enylpiperidin-3-ol.
What is the SMILES notation for (2S,3S)-2-prop-2-enylpiperidin-3-ol?
The canonical SMILES for (2S,3S)-2-prop-2-enylpiperidin-3-ol is C=CC[C@@H]1NCCC[C@@H]1O.
What is the InChIKey of (2S,3S)-2-prop-2-enylpiperidin-3-ol?
The InChIKey is XKFXMDBFADPIND-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-4-7-8(10)5-3-6-9-7/h2,7-10H,1,3-6H2/t7-,8-/m0/s1.
What are the key properties of (2S,3S)-2-prop-2-enylpiperidin-3-ol?
(2S,3S)-2-prop-2-enylpiperidin-3-ol has a molecular weight of 141.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-prop-2-enylpiperidin-3-ol is sourced from PubChem (CID 55287221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).