1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol

C9H17NO — CID 70502414

IUPAC1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CNCC[C@@H]1C(C)O
InChIInChI=1S/C9H17NO/c1-3-8-6-10-5-4-9(8)7(2)11/h3,7-11H,1,4-6H2,2H3/t7?,8-,9+/m0/s1
InChIKeyDYMILGNTJCVZPA-SXNZSPLWSA-N
MW155.24 g/mol
LogP0.78
Rot. Bonds2

About 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol

1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol (PubChem CID 70502414) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
PubChem CID70502414
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol
SMILESC=C[C@H]1CNCC[C@@H]1C(C)O
InChIInChI=1S/C9H17NO/c1-3-8-6-10-5-4-9(8)7(2)11/h3,7-11H,1,4-6H2,2H3/t7?,8-,9+/m0/s1
InChIKeyDYMILGNTJCVZPA-SXNZSPLWSA-N
XLogP0.78
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The IUPAC name of 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol (CID 70502414) is 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol.
What is the SMILES notation for 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The canonical SMILES for 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol is C=C[C@H]1CNCC[C@@H]1C(C)O.
What is the InChIKey of 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
The InChIKey is DYMILGNTJCVZPA-SXNZSPLWSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-8-6-10-5-4-9(8)7(2)11/h3,7-11H,1,4-6H2,2H3/t7?,8-,9+/m0/s1.
What are the key properties of 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol?
1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol has a molecular weight of 155.24 g/mol, XLogP of 0.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R,4S)-3-ethenylpiperidin-4-yl]ethanol is sourced from PubChem (CID 70502414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).