4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium

C13H18ClN — CID 123363938

IUPAC4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium
SMILES[CH2-][NH+]1CCC(C)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN/c1-13(7-9-15(2)10-8-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyOHPMBYMZVRBTKG-UHFFFAOYSA-N
MW223.75 g/mol
LogP2.07
Rot. Bonds1

About 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium

4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium (PubChem CID 123363938) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium
PubChem CID123363938
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium
SMILES[CH2-][NH+]1CCC(C)(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C13H18ClN/c1-13(7-9-15(2)10-8-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3
InChIKeyOHPMBYMZVRBTKG-UHFFFAOYSA-N
XLogP2.07
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-1-[4-(4-chlorophenyl)-4-methylpiperidin-1-yl]ethanone
CID 166414867
1-chloro-4-[(1R)-1-methylcyclopent-2-en-1-yl]benzene
CID 169282339
1-chloro-4-[1-[1-(4-chlorophenyl)cyclobutyl]cyclobutyl]benzene
CID 91148792
2-(4-chlorophenyl)-2-methyloxolane
CID 56963782
1,2-dichloro-4-(1-methylcyclopropyl)benzene;ethane;propane
CID 143403247
(4S)-4-(4-chlorophenyl)-3,3-dimethylpiperidin-4-amine
CID 124566891
1-(4-chlorophenyl)-3,3-dimethylcyclobutan-1-amine
CID 65000826
azane;1-(1-methylcyclopropyl)-4-(trifluoromethyl)benzene
CID 66801661
2-[4-(1-methylcyclopropyl)phenyl]propane-2-thiol
CID 123237459
2-(4-chlorophenyl)-2-methylcyclobutane-1,3-dione
CID 68579255
methane;(1-methylcyclopentyl)benzene
CID 143499824
1-[4-(1-methylcyclopropyl)phenyl]cyclopropan-1-amine
CID 118201166

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium?
The IUPAC name of 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium (CID 123363938) is 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium.
What is the SMILES notation for 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium?
The canonical SMILES for 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium is [CH2-][NH+]1CCC(C)(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium?
The InChIKey is OHPMBYMZVRBTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN/c1-13(7-9-15(2)10-8-13)11-3-5-12(14)6-4-11/h3-6,15H,2,7-10H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium?
4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium has a molecular weight of 223.75 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-methanidyl-4-methylpiperidin-1-ium is sourced from PubChem (CID 123363938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).