2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol

C10H19NO — CID 101092777

IUPAC2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol
SMILESC=CC[C@H]1C[C@@H](CCO)CCN1
InChIInChI=1S/C10H19NO/c1-2-3-10-8-9(5-7-12)4-6-11-10/h2,9-12H,1,3-8H2/t9-,10+/m1/s1
InChIKeyGFSMXHVCEVBVKI-ZJUUUORDSA-N
MW169.27 g/mol
LogP1.31
Rot. Bonds4

About 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol

2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol (PubChem CID 101092777) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol
PubChem CID101092777
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol
SMILESC=CC[C@H]1C[C@@H](CCO)CCN1
InChIInChI=1S/C10H19NO/c1-2-3-10-8-9(5-7-12)4-6-11-10/h2,9-12H,1,3-8H2/t9-,10+/m1/s1
InChIKeyGFSMXHVCEVBVKI-ZJUUUORDSA-N
XLogP1.31
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.31
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

4-Vinyl-trans-decahydroquinolol
CID 129789427
2-[(3R,4S)-3-ethenylpiperidin-4-yl]ethan-1-ol
CID 22825905
2-[2,2,6,6-Tetrakis(prop-2-enyl)piperidin-4-yl]ethanol
CID 67934045
1,2,3,4,4a,5,8,8a-Octahydroquinolin-3-ylmethanol
CID 68213312
2-[(3R)-3-ethenylpiperidin-4-yl]ethanol
CID 70502413
1-Piperidin-3-ylbut-3-en-1-ol
CID 80560183
5-(5-Hydroxypentylamino)-5-prop-2-enyloct-7-en-1-ol
CID 87687512
2-Methyl-4-[(pent-4-enylamino)methyl]hexan-1-ol
CID 89126691
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
3-But-3-enylpiperidin-4-ol
CID 114451881
(2S,5R,6S)-5-methyl-6-[(Z)-prop-1-enyl]piperidin-2-ol
CID 118074672
5-Piperidin-4-ylpent-1-en-3-ol
CID 118964334

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol?
The IUPAC name of 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol (CID 101092777) is 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol.
What is the SMILES notation for 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol?
The canonical SMILES for 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol is C=CC[C@H]1C[C@@H](CCO)CCN1.
What is the InChIKey of 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol?
The InChIKey is GFSMXHVCEVBVKI-ZJUUUORDSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-3-10-8-9(5-7-12)4-6-11-10/h2,9-12H,1,3-8H2/t9-,10+/m1/s1.
What are the key properties of 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol?
2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol has a molecular weight of 169.27 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,4S)-2-prop-2-enylpiperidin-4-yl]ethanol is sourced from PubChem (CID 101092777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).