(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol

C8H15NO — CID 11564486

IUPAC(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-6(2)7-5-9-4-3-8(7)10/h7-10H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeyUNPANEGGKULUKV-YUMQZZPRSA-N
MW141.21 g/mol
LogP0.53
Rot. Bonds1

About (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol

(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol (PubChem CID 11564486) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
PubChem CID11564486
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol
SMILESC=C(C)[C@@H]1CNCC[C@@H]1O
InChIInChI=1S/C8H15NO/c1-6(2)7-5-9-4-3-8(7)10/h7-10H,1,3-5H2,2H3/t7-,8-/m0/s1
InChIKeyUNPANEGGKULUKV-YUMQZZPRSA-N
XLogP0.53
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.53
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

3-Fluoro-3-prop-2-enylpiperidin-4-ol
CID 170563806
3-Prop-2-enylpiperidin-4-ol
CID 55300262
1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
CID 70502414
2-Methyl-1-piperidin-3-ylprop-2-en-1-ol
CID 80559018
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
3-But-3-enylpiperidin-4-ol
CID 114451881
3-Piperidin-4-ylbut-3-en-1-ol
CID 117268286
4-(2-Methylprop-2-en-1-yl)piperidin-4-ol
CID 123241473
3-(4-Hydroxypiperidin-3-yl)prop-1-en-1-one
CID 141569999
(3S)-2,3-bis(ethenyl)-6-methylpiperidin-4-ol
CID 141979418
1-(Ethylamino)-5-methylhexan-3-ol;4-ethyl-2-methylhex-1-ene
CID 145466255
4-Piperidin-4-ylpent-4-en-2-ol
CID 169595340

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol?
The IUPAC name of (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol (CID 11564486) is (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol.
What is the SMILES notation for (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol?
The canonical SMILES for (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol is C=C(C)[C@@H]1CNCC[C@@H]1O.
What is the InChIKey of (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol?
The InChIKey is UNPANEGGKULUKV-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-5-9-4-3-8(7)10/h7-10H,1,3-5H2,2H3/t7-,8-/m0/s1.
What are the key properties of (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol?
(3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol has a molecular weight of 141.21 g/mol, XLogP of 0.53, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-prop-1-en-2-ylpiperidin-4-ol is sourced from PubChem (CID 11564486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).