dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)

C28H36Li2N2O4 — CID 162364859

IUPACdilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
SMILESO=C([O-])CN1CCC(Cc2ccccc2)CC1.O=C([O-])CN1CCC(Cc2ccccc2)CC1.[Li+].[Li+]
InChIInChI=1S/2C14H19NO2.2Li/c2*16-14(17)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12;;/h2*1-5,13H,6-11H2,(H,16,17);;/q;;2*+1/p-2
InChIKeyVYOKSOMYTSJADY-UHFFFAOYSA-L
MW478.49 g/mol
LogP-4.61
Rot. Bonds8

About dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)

dilithium bis(2-(4-benzylpiperidin-1-yl)acetate) (PubChem CID 162364859) has the molecular formula C28H36Li2N2O4 and a molecular weight of 478.49 g/mol. Its IUPAC name is dilithium bis(2-(4-benzylpiperidin-1-yl)acetate).

Molecular Properties

Compound Namedilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
PubChem CID162364859
Molecular FormulaC28H36Li2N2O4
Molecular Weight478.49 g/mol
Exact Mass478.30
IUPAC Namedilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
SMILESO=C([O-])CN1CCC(Cc2ccccc2)CC1.O=C([O-])CN1CCC(Cc2ccccc2)CC1.[Li+].[Li+]
InChIInChI=1S/2C14H19NO2.2Li/c2*16-14(17)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12;;/h2*1-5,13H,6-11H2,(H,16,17);;/q;;2*+1/p-2
InChIKeyVYOKSOMYTSJADY-UHFFFAOYSA-L
XLogP-4.61
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.49
LogP ≤ 5-4.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
2-(4-benzylazonan-1-yl)acetic acid
CID 69364417
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
2-(4-benzylpiperidin-1-yl)-1-(4-ethylpiperazin-1-yl)ethanone
CID 108995596
2-(4-benzylpiperidin-1-yl)-N-(4-ethylphenyl)acetamide
CID 17380707
2-(4-benzylpiperidin-1-yl)ethylcarbamic acid
CID 166653471
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
2-(4-benzylpiperidin-1-yl)-1-[(3R)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 40769241
N-benzyl-2-(4-benzylpiperidin-1-yl)-N-ethylacetamide
CID 108998987
(E)-4-(4-benzylpiperidin-1-yl)but-2-enoic acid
CID 62343923
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
2-(4-benzylpiperidin-1-yl)-N-(1-cyclopropylethyl)acetamide
CID 78719824

Frequently Asked Questions

What is the IUPAC name of dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)?
The IUPAC name of dilithium bis(2-(4-benzylpiperidin-1-yl)acetate) (CID 162364859) is dilithium bis(2-(4-benzylpiperidin-1-yl)acetate).
What is the SMILES notation for dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)?
The canonical SMILES for dilithium bis(2-(4-benzylpiperidin-1-yl)acetate) is O=C([O-])CN1CCC(Cc2ccccc2)CC1.O=C([O-])CN1CCC(Cc2ccccc2)CC1.[Li+].[Li+].
What is the InChIKey of dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)?
The InChIKey is VYOKSOMYTSJADY-UHFFFAOYSA-L. The full InChI is InChI=1S/2C14H19NO2.2Li/c2*16-14(17)11-15-8-6-13(7-9-15)10-12-4-2-1-3-5-12;;/h2*1-5,13H,6-11H2,(H,16,17);;/q;;2*+1/p-2.
What are the key properties of dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)?
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate) has a molecular weight of 478.49 g/mol, XLogP of -4.61, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium bis(2-(4-benzylpiperidin-1-yl)acetate) is sourced from PubChem (CID 162364859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).