1-methyl-1-phenylpiperidin-1-ium-3-ol

C12H18NO+ — CID 70522148

IUPAC1-methyl-1-phenylpiperidin-1-ium-3-ol
SMILESC[N+]1(c2ccccc2)CCCC(O)C1
InChIInChI=1S/C12H18NO/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3/q+1
InChIKeyRSODBVSQPPOMSP-UHFFFAOYSA-N
MW192.28 g/mol
LogP1.78
Rot. Bonds1

About 1-methyl-1-phenylpiperidin-1-ium-3-ol

1-methyl-1-phenylpiperidin-1-ium-3-ol (PubChem CID 70522148) has the molecular formula C12H18NO+ and a molecular weight of 192.28 g/mol. Its IUPAC name is 1-methyl-1-phenylpiperidin-1-ium-3-ol.

Molecular Properties

Compound Name1-methyl-1-phenylpiperidin-1-ium-3-ol
PubChem CID70522148
Molecular FormulaC12H18NO+
Molecular Weight192.28 g/mol
Exact Mass192.14
IUPAC Name1-methyl-1-phenylpiperidin-1-ium-3-ol
SMILESC[N+]1(c2ccccc2)CCCC(O)C1
InChIInChI=1S/C12H18NO/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3/q+1
InChIKeyRSODBVSQPPOMSP-UHFFFAOYSA-N
XLogP1.78
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 51.78
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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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-phenylpiperidin-1-ium-3-ol?
The IUPAC name of 1-methyl-1-phenylpiperidin-1-ium-3-ol (CID 70522148) is 1-methyl-1-phenylpiperidin-1-ium-3-ol.
What is the SMILES notation for 1-methyl-1-phenylpiperidin-1-ium-3-ol?
The canonical SMILES for 1-methyl-1-phenylpiperidin-1-ium-3-ol is C[N+]1(c2ccccc2)CCCC(O)C1.
What is the InChIKey of 1-methyl-1-phenylpiperidin-1-ium-3-ol?
The InChIKey is RSODBVSQPPOMSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18NO/c1-13(9-5-8-12(14)10-13)11-6-3-2-4-7-11/h2-4,6-7,12,14H,5,8-10H2,1H3/q+1.
What are the key properties of 1-methyl-1-phenylpiperidin-1-ium-3-ol?
1-methyl-1-phenylpiperidin-1-ium-3-ol has a molecular weight of 192.28 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-phenylpiperidin-1-ium-3-ol is sourced from PubChem (CID 70522148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).