benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium

C15H26N2+2 — CID 7175875

IUPACbenzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
SMILESC[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-12-11-17(3)13(2)9-15(12)16-10-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/p+2/t12-,13+,15-/m1/s1
InChIKeyWSVFANOWQHGVOH-VNHYZAJKSA-P
MW234.39 g/mol
LogP0.06
Rot. Bonds3

About benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium

benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium (PubChem CID 7175875) has the molecular formula C15H26N2+2 and a molecular weight of 234.39 g/mol. Its IUPAC name is benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium.

Molecular Properties

Compound Namebenzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
PubChem CID7175875
Molecular FormulaC15H26N2+2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Namebenzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
SMILESC[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1
InChIInChI=1S/C15H24N2/c1-12-11-17(3)13(2)9-15(12)16-10-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/p+2/t12-,13+,15-/m1/s1
InChIKeyWSVFANOWQHGVOH-VNHYZAJKSA-P
XLogP0.06
TPSA21.05 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium with MolForge

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Related Compounds

2-methylpropyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium
CID 7714562
benzyl-[(3R,4S)-1,1-dioxo-4-phenylthiolan-3-yl]azanium
CID 7138766
2-[(2R,4R,5S)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl]ethyl-[(4-methoxyphenyl)methyl]azanium
CID 7071028
[(3R,4R)-1-benzyl-4-methylpiperidin-1-ium-3-yl]-methylazanium
CID 86312678
2-(2-methylcyclopropyl)ethylbenzene
CID 15532829
[(2R,4S,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl] 2-chlorobenzoate
CID 7065935
benzyl-[(3R,4S)-1-benzyl-3-(4-ethoxyphenyl)piperidin-1-ium-4-yl]azanium
CID 11905044
benzyl-[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]azanium
CID 23309137
(1-benzyl-4-methylpiperidin-1-ium-3-yl)-methylazanium chloride
CID 163755321
2-[(2S,4S,5R)-4-benzyl-1,2,5-trimethylpiperidin-1-ium-4-yl]acetonitrile
CID 2055289
[benzyl(cyclopenta-2,4-dien-1-yl)phosphoryl]methylbenzene
CID 153280955
(1R,4S)-2-benzyl-2-azoniabicyclo[2.2.1]hept-5-ene
CID 11863579

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium?
The IUPAC name of benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium (CID 7175875) is benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium.
What is the SMILES notation for benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium?
The canonical SMILES for benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium is C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1.
What is the InChIKey of benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium?
The InChIKey is WSVFANOWQHGVOH-VNHYZAJKSA-P. The full InChI is InChI=1S/C15H24N2/c1-12-11-17(3)13(2)9-15(12)16-10-14-7-5-4-6-8-14/h4-8,12-13,15-16H,9-11H2,1-3H3/p+2/t12-,13+,15-/m1/s1.
What are the key properties of benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium?
benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium has a molecular weight of 234.39 g/mol, XLogP of 0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2S,4R,5R)-1,2,5-trimethylpiperidin-1-ium-4-yl]azanium is sourced from PubChem (CID 7175875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).