(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol

C11H22NO+ — CID 7200588

IUPAC(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CC[C@@]1(O)C[C@H](C)[NH+](C)C[C@H]1C
InChIInChI=1S/C11H21NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h5,9-10,13H,1,6-8H2,2-4H3/p+1/t9-,10+,11-/m1/s1
InChIKeyHAYJMKCUHUHZDC-OUAUKWLOSA-O
MW184.30 g/mol
LogP0.24
Rot. Bonds2

About (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol

(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol (PubChem CID 7200588) has the molecular formula C11H22NO+ and a molecular weight of 184.30 g/mol. Its IUPAC name is (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
PubChem CID7200588
Molecular FormulaC11H22NO+
Molecular Weight184.30 g/mol
Exact Mass184.17
IUPAC Name(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol
SMILESC=CC[C@@]1(O)C[C@H](C)[NH+](C)C[C@H]1C
InChIInChI=1S/C11H21NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h5,9-10,13H,1,6-8H2,2-4H3/p+1/t9-,10+,11-/m1/s1
InChIKeyHAYJMKCUHUHZDC-OUAUKWLOSA-O
XLogP0.24
TPSA24.67 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.30
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The IUPAC name of (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol (CID 7200588) is (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol.
What is the SMILES notation for (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The canonical SMILES for (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol is C=CC[C@@]1(O)C[C@H](C)[NH+](C)C[C@H]1C.
What is the InChIKey of (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
The InChIKey is HAYJMKCUHUHZDC-OUAUKWLOSA-O. The full InChI is InChI=1S/C11H21NO/c1-5-6-11(13)7-10(3)12(4)8-9(11)2/h5,9-10,13H,1,6-8H2,2-4H3/p+1/t9-,10+,11-/m1/s1.
What are the key properties of (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol?
(2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol has a molecular weight of 184.30 g/mol, XLogP of 0.24, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,5R)-1,2,5-trimethyl-4-prop-2-enylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7200588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).