(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol

C14H22NO+ — CID 59019158

IUPAC(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol
SMILESC[N+]1(Cc2ccccc2)CCC(CO)CC1
InChIInChI=1S/C14H22NO/c1-15(9-7-14(12-16)8-10-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3/q+1
InChIKeyYJNPIBNOJGLFKT-UHFFFAOYSA-N
MW220.34 g/mol
LogP2.04
Rot. Bonds3

About (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol

(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol (PubChem CID 59019158) has the molecular formula C14H22NO+ and a molecular weight of 220.34 g/mol. Its IUPAC name is (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol.

Molecular Properties

Compound Name(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol
PubChem CID59019158
Molecular FormulaC14H22NO+
Molecular Weight220.34 g/mol
Exact Mass220.17
IUPAC Name(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol
SMILESC[N+]1(Cc2ccccc2)CCC(CO)CC1
InChIInChI=1S/C14H22NO/c1-15(9-7-14(12-16)8-10-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3/q+1
InChIKeyYJNPIBNOJGLFKT-UHFFFAOYSA-N
XLogP2.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.34
LogP ≤ 52.04
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-benzyl-1-methylpiperidin-1-ium-4-yl)methanol?
The IUPAC name of (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol (CID 59019158) is (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol.
What is the SMILES notation for (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol?
The canonical SMILES for (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol is C[N+]1(Cc2ccccc2)CCC(CO)CC1.
What is the InChIKey of (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol?
The InChIKey is YJNPIBNOJGLFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO/c1-15(9-7-14(12-16)8-10-15)11-13-5-3-2-4-6-13/h2-6,14,16H,7-12H2,1H3/q+1.
What are the key properties of (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol?
(1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol has a molecular weight of 220.34 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-1-methylpiperidin-1-ium-4-yl)methanol is sourced from PubChem (CID 59019158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).