methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium

C16H28N2+2 — CID 2058185

IUPACmethyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium
SMILESC[C@@H](C[NH+](C)C1CC[NH+](C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(15-7-5-4-6-8-15)13-18(3)16-9-11-17(2)12-10-16/h4-8,14,16H,9-13H2,1-3H3/p+2/t14-/m0/s1
InChIKeyYEARZNGDLMHQCC-AWEZNQCLSA-P
MW248.41 g/mol
LogP-0.02
Rot. Bonds4

About methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium

methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium (PubChem CID 2058185) has the molecular formula C16H28N2+2 and a molecular weight of 248.41 g/mol. Its IUPAC name is methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium.

Molecular Properties

Compound Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium
PubChem CID2058185
Molecular FormulaC16H28N2+2
Molecular Weight248.41 g/mol
Exact Mass248.22
IUPAC Namemethyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium
SMILESC[C@@H](C[NH+](C)C1CC[NH+](C)CC1)c1ccccc1
InChIInChI=1S/C16H26N2/c1-14(15-7-5-4-6-8-15)13-18(3)16-9-11-17(2)12-10-16/h4-8,14,16H,9-13H2,1-3H3/p+2/t14-/m0/s1
InChIKeyYEARZNGDLMHQCC-AWEZNQCLSA-P
XLogP-0.02
TPSA8.88 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.41
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium?
The IUPAC name of methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium (CID 2058185) is methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium.
What is the SMILES notation for methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium?
The canonical SMILES for methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium is C[C@@H](C[NH+](C)C1CC[NH+](C)CC1)c1ccccc1.
What is the InChIKey of methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium?
The InChIKey is YEARZNGDLMHQCC-AWEZNQCLSA-P. The full InChI is InChI=1S/C16H26N2/c1-14(15-7-5-4-6-8-15)13-18(3)16-9-11-17(2)12-10-16/h4-8,14,16H,9-13H2,1-3H3/p+2/t14-/m0/s1.
What are the key properties of methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium?
methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium has a molecular weight of 248.41 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(1-methylpiperidin-1-ium-4-yl)-[(2R)-2-phenylpropyl]azanium is sourced from PubChem (CID 2058185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).