1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium

C13H19ClN+ — CID 7297807

IUPAC1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
SMILESCC1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3/p+1
InChIKeyHSUJZDBBVSUCLW-UHFFFAOYSA-O
MW224.76 g/mol
LogP2.15
Rot. Bonds2

About 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium

1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium (PubChem CID 7297807) has the molecular formula C13H19ClN+ and a molecular weight of 224.76 g/mol. Its IUPAC name is 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium.

Molecular Properties

Compound Name1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
PubChem CID7297807
Molecular FormulaC13H19ClN+
Molecular Weight224.76 g/mol
Exact Mass224.12
IUPAC Name1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium
SMILESCC1CC[NH+](Cc2ccccc2Cl)CC1
InChIInChI=1S/C13H18ClN/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3/p+1
InChIKeyHSUJZDBBVSUCLW-UHFFFAOYSA-O
XLogP2.15
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.76
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-[(2-chlorophenyl)methyl]-4-[(1R,3R)-3-methylcyclohexyl]piperazine-1,4-diium
CID 7108968
1-[(2-methoxyphenyl)methyl]-4-methylpiperidin-1-ium
CID 7321439
1-[(2-chlorophenyl)methyl]-4-cycloheptylpiperazine-1,4-diium
CID 2055176
1-[(2-chlorophenyl)methyl]-N-(2-methylpropyl)piperidin-1-ium-4-carboxamide
CID 7334869
1-chloro-2-[(4-methylcyclohexyl)methyl]benzene
CID 71050901
1-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]ethanone
CID 6943021
1-[(2-chlorophenyl)methyl]-N-[(1R)-1-phenylethyl]piperidin-1-ium-4-carboxamide
CID 7334954
1-(2-chlorophenyl)-2-(4-methylpiperidin-1-ium-1-yl)ethanone
CID 2404153
N-benzyl-1-[(2-chlorophenyl)methyl]-N-ethylpiperidin-1-ium-4-carboxamide
CID 7334890
1-[(2-chlorophenyl)methyl]-4-[[(1S)-cyclohex-3-en-1-yl]methyl]piperazine-1,4-diium
CID 7108965
1-[(2-chlorophenyl)methyl]-4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1,4-diium
CID 4755120
(3R)-1-[(2-chlorophenyl)methyl]piperidin-1-ium-3-carboxamide
CID 6962116

Frequently Asked Questions

What is the IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium?
The IUPAC name of 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium (CID 7297807) is 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium.
What is the SMILES notation for 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium?
The canonical SMILES for 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium is CC1CC[NH+](Cc2ccccc2Cl)CC1.
What is the InChIKey of 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium?
The InChIKey is HSUJZDBBVSUCLW-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H18ClN/c1-11-6-8-15(9-7-11)10-12-4-2-3-5-13(12)14/h2-5,11H,6-10H2,1H3/p+1.
What are the key properties of 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium?
1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium has a molecular weight of 224.76 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chlorophenyl)methyl]-4-methylpiperidin-1-ium is sourced from PubChem (CID 7297807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).