(3R)-1-benzyl-3-methylpiperidin-1-ium

C13H20N+ — CID 7170878

IUPAC(3R)-1-benzyl-3-methylpiperidin-1-ium
SMILESC[C@@H]1CCC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/p+1/t12-/m1/s1
InChIKeyVUEWBPBFUKIDKK-GFCCVEGCSA-O
MW190.31 g/mol
LogP1.50
Rot. Bonds2

About (3R)-1-benzyl-3-methylpiperidin-1-ium

(3R)-1-benzyl-3-methylpiperidin-1-ium (PubChem CID 7170878) has the molecular formula C13H20N+ and a molecular weight of 190.31 g/mol. Its IUPAC name is (3R)-1-benzyl-3-methylpiperidin-1-ium.

Molecular Properties

Compound Name(3R)-1-benzyl-3-methylpiperidin-1-ium
PubChem CID7170878
Molecular FormulaC13H20N+
Molecular Weight190.31 g/mol
Exact Mass190.16
IUPAC Name(3R)-1-benzyl-3-methylpiperidin-1-ium
SMILESC[C@@H]1CCC[NH+](Cc2ccccc2)C1
InChIInChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/p+1/t12-/m1/s1
InChIKeyVUEWBPBFUKIDKK-GFCCVEGCSA-O
XLogP1.50
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

1-benzyl-4-[(3R)-3-methylpiperidin-1-ium-1-yl]piperidin-1-ium
CID 7445786
(3R)-3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium
CID 7445628
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium
CID 7047233
[(3R,4R)-1-benzyl-4-methylpiperidin-1-ium-3-yl]-methylazanium
CID 86312678
1-benzyl-4-[(1R,3R)-3-methylcyclopentyl]piperazine-1,4-diium
CID 6937897
(1-benzylpiperidin-1-ium-4-yl)-[(1R,3R)-3-methylcyclohexyl]azanium
CID 7446009
1-benzyl-4-cyclopentylpiperazine-1,4-diium
CID 7108959
(1-benzyl-4-methylpiperidin-1-ium-3-yl)-methylazanium chloride
CID 163755321
5-benzyl-2,3,3a,4,5,6,7,7a-octahydro-1H-pyrrolo[3,4-c]pyridine-2,5-diium dichloride
CID 86647688
1-benzyl-1,4-diazepane-1,4-diium
CID 6930998
ethylbenzene;methylcyclobutane
CID 176989756
[(3S)-1-(1-benzylpiperidin-1-ium-4-yl)piperidin-1-ium-3-yl]methanol
CID 7047277

Frequently Asked Questions

What is the IUPAC name of (3R)-1-benzyl-3-methylpiperidin-1-ium?
The IUPAC name of (3R)-1-benzyl-3-methylpiperidin-1-ium (CID 7170878) is (3R)-1-benzyl-3-methylpiperidin-1-ium.
What is the SMILES notation for (3R)-1-benzyl-3-methylpiperidin-1-ium?
The canonical SMILES for (3R)-1-benzyl-3-methylpiperidin-1-ium is C[C@@H]1CCC[NH+](Cc2ccccc2)C1.
What is the InChIKey of (3R)-1-benzyl-3-methylpiperidin-1-ium?
The InChIKey is VUEWBPBFUKIDKK-GFCCVEGCSA-O. The full InChI is InChI=1S/C13H19N/c1-12-6-5-9-14(10-12)11-13-7-3-2-4-8-13/h2-4,7-8,12H,5-6,9-11H2,1H3/p+1/t12-/m1/s1.
What are the key properties of (3R)-1-benzyl-3-methylpiperidin-1-ium?
(3R)-1-benzyl-3-methylpiperidin-1-ium has a molecular weight of 190.31 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-benzyl-3-methylpiperidin-1-ium is sourced from PubChem (CID 7170878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).