(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol

C8H18NO+ — CID 7168625

IUPAC(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C[N+](C)(C)CC[C@@H]1O
InChIInChI=1S/C8H18NO/c1-7-6-9(2,3)5-4-8(7)10/h7-8,10H,4-6H2,1-3H3/q+1/t7-,8+/m1/s1
InChIKeyXARDSTDONFXIFV-SFYZADRCSA-N
MW144.24 g/mol
LogP0.46
Rot. Bonds

About (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol

(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol (PubChem CID 7168625) has the molecular formula C8H18NO+ and a molecular weight of 144.24 g/mol. Its IUPAC name is (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol.

Molecular Properties

Compound Name(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol
PubChem CID7168625
Molecular FormulaC8H18NO+
Molecular Weight144.24 g/mol
Exact Mass144.14
IUPAC Name(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol
SMILESC[C@@H]1C[N+](C)(C)CC[C@@H]1O
InChIInChI=1S/C8H18NO/c1-7-6-9(2,3)5-4-8(7)10/h7-8,10H,4-6H2,1-3H3/q+1/t7-,8+/m1/s1
InChIKeyXARDSTDONFXIFV-SFYZADRCSA-N
XLogP0.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(3R)-1,1-dimethylpyrrolidin-1-ium-3-ol iodide
CID 146627833
(3S)-1,4-dimethyl-1-oxidopyrrolidin-1-ium-3-ol
CID 89166357
cis-(1S,2R)-4,4-dideuterio-2-methylcyclopentan-1-ol
CID 171581975
(4S,4aR,6R,7R,7aR)-2,2,4,7-tetramethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-2-ium-6-ol iodide
CID 10734822
cis-(1S,2R)-2-methylcyclopentan-1-ol
CID 642631
trans-(1S,2S)-2-methylcyclopropan-1-ol
CID 13410812
3-bromo-1,1-dimethylpyrrolidin-1-ium
CID 146629635
ethane;(1R)-2-methylcyclohexan-1-ol
CID 142359109
2-methylcyclododecan-1-ol
CID 13130078
ethane;trans-(1S,2S)-2-methylcyclohexan-1-ol
CID 143642035
(1R,3R,4R,6R)-4,6-dimethylcyclohexane-1,3-diol
CID 131177200
(1S,2S,4S)-2,4-dimethylcyclohexan-1-ol
CID 12779508

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol?
The IUPAC name of (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol (CID 7168625) is (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol.
What is the SMILES notation for (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol?
The canonical SMILES for (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol is C[C@@H]1C[N+](C)(C)CC[C@@H]1O.
What is the InChIKey of (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol?
The InChIKey is XARDSTDONFXIFV-SFYZADRCSA-N. The full InChI is InChI=1S/C8H18NO/c1-7-6-9(2,3)5-4-8(7)10/h7-8,10H,4-6H2,1-3H3/q+1/t7-,8+/m1/s1.
What are the key properties of (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol?
(3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol has a molecular weight of 144.24 g/mol, XLogP of 0.46, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,1,3-trimethylpiperidin-1-ium-4-ol is sourced from PubChem (CID 7168625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).