[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol

C9H17NO — CID 131215242

IUPAC[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CC[C@@H]1CCC[C@@H](CO)N1
InChIInChI=1S/C9H17NO/c1-2-4-8-5-3-6-9(7-11)10-8/h2,8-11H,1,3-7H2/t8-,9+/m1/s1
InChIKeyHZLBPOLWSGFBQZ-BDAKNGLRSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds3

About [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol

[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol (PubChem CID 131215242) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol
PubChem CID131215242
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol
SMILESC=CC[C@@H]1CCC[C@@H](CO)N1
InChIInChI=1S/C9H17NO/c1-2-4-8-5-3-6-9(7-11)10-8/h2,8-11H,1,3-7H2/t8-,9+/m1/s1
InChIKeyHZLBPOLWSGFBQZ-BDAKNGLRSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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

2-(Undec-1-en-6-ylamino)ethanol
CID 24812845
(2R,3S)-2-prop-2-enylpiperidin-3-ol
CID 55287222
(4-Methylidenepiperidin-2-yl)methanol
CID 66733503
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
[(2S,3S)-3-ethenylpiperidin-2-yl]methanol
CID 89269282
1-Piperidin-2-ylprop-2-en-1-ol
CID 106634606
(4R,6S)-2-[(E)-2-hydroxyethenyl]-6-(hydroxymethyl)piperidin-4-ol
CID 137484022
(2S,3R)-2-prop-2-enylpiperidin-3-ol
CID 141512712
1-Piperidin-2-ylethanol;prop-1-ene
CID 155698615
2-(Dec-1-en-4-ylamino)butan-1-ol
CID 4711910

Frequently Asked Questions

What is the IUPAC name of [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol?
The IUPAC name of [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol (CID 131215242) is [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol.
What is the SMILES notation for [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol?
The canonical SMILES for [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol is C=CC[C@@H]1CCC[C@@H](CO)N1.
What is the InChIKey of [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol?
The InChIKey is HZLBPOLWSGFBQZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-8-5-3-6-9(7-11)10-8/h2,8-11H,1,3-7H2/t8-,9+/m1/s1.
What are the key properties of [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol?
[(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,6S)-6-prop-2-enylpiperidin-2-yl]methanol is sourced from PubChem (CID 131215242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).