[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium

C14H24N2+2 — CID 9160807

IUPAC[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium
SMILESC[C@H]1CCC[NH+]([C@@H](C[NH3+])c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/p+2/t12-,14-/m0/s1
InChIKeyLHQTWACZUTUCKS-JSGCOSHPSA-P
MW220.36 g/mol
LogP0.28
Rot. Bonds3

About [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium

[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium (PubChem CID 9160807) has the molecular formula C14H24N2+2 and a molecular weight of 220.36 g/mol. Its IUPAC name is [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium.

Molecular Properties

Compound Name[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium
PubChem CID9160807
Molecular FormulaC14H24N2+2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium
SMILESC[C@H]1CCC[NH+]([C@@H](C[NH3+])c2ccccc2)C1
InChIInChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/p+2/t12-,14-/m0/s1
InChIKeyLHQTWACZUTUCKS-JSGCOSHPSA-P
XLogP0.28
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]azanium
CID 7127664
(3R)-1-benzyl-3-methylpiperidin-1-ium
CID 7170878
(3S)-3-methyl-1-[1-(2-phenylethyl)piperidin-1-ium-4-yl]piperidin-1-ium
CID 7047233
[(2S)-2-cyclohexyl-2-phenylethyl]azanium
CID 6985274
(3S)-3-methyl-1-[1-(4-phenylcyclohexyl)piperidin-1-ium-4-yl]piperidin-1-ium
CID 6980810
(2S)-2-(4-methylpiperidin-1-ium-1-yl)-2-phenylacetate
CID 6965689
(3R)-3-methyl-1-[(3-phenoxyphenyl)methyl]piperidin-1-ium
CID 7445628
(2-cyclopentyl-2-phenylethyl)phosphane
CID 57243650
ethylbenzene;methylcyclobutane
CID 176989756
ethyl (3R)-1-[(2S)-1-(benzhydrylamino)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate
CID 8532130
(2S)-N-(3-acetylphenyl)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide
CID 8903613
1-(2,2-diphenylethyl)-3-methylpyrrolidine
CID 22949855

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium?
The IUPAC name of [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium (CID 9160807) is [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium.
What is the SMILES notation for [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium?
The canonical SMILES for [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium is C[C@H]1CCC[NH+]([C@@H](C[NH3+])c2ccccc2)C1.
What is the InChIKey of [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium?
The InChIKey is LHQTWACZUTUCKS-JSGCOSHPSA-P. The full InChI is InChI=1S/C14H22N2/c1-12-6-5-9-16(11-12)14(10-15)13-7-3-2-4-8-13/h2-4,7-8,12,14H,5-6,9-11,15H2,1H3/p+2/t12-,14-/m0/s1.
What are the key properties of [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium?
[(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium has a molecular weight of 220.36 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3S)-3-methylpiperidin-1-ium-1-yl]-2-phenylethyl]azanium is sourced from PubChem (CID 9160807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).