lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide

C9H17LiN2O2 — CID 143011238

IUPAClithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide
SMILESCCOC(=O)[N-]C1CCN(C)CC1.[Li+]
InChIInChI=1S/C9H18N2O2.Li/c1-3-13-9(12)10-8-4-6-11(2)7-5-8;/h8H,3-7H2,1-2H3,(H,10,12);/q;+1/p-1
InChIKeyYTPQKMWXNZSBLS-UHFFFAOYSA-M
MW192.19 g/mol
LogP-1.39
Rot. Bonds2

About lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide

lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide (PubChem CID 143011238) has the molecular formula C9H17LiN2O2 and a molecular weight of 192.19 g/mol. Its IUPAC name is lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide.

Molecular Properties

Compound Namelithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide
PubChem CID143011238
Molecular FormulaC9H17LiN2O2
Molecular Weight192.19 g/mol
Exact Mass192.15
IUPAC Namelithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide
SMILESCCOC(=O)[N-]C1CCN(C)CC1.[Li+]
InChIInChI=1S/C9H18N2O2.Li/c1-3-13-9(12)10-8-4-6-11(2)7-5-8;/h8H,3-7H2,1-2H3,(H,10,12);/q;+1/p-1
InChIKeyYTPQKMWXNZSBLS-UHFFFAOYSA-M
XLogP-1.39
TPSA43.64 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 5-1.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide?
The IUPAC name of lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide (CID 143011238) is lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide.
What is the SMILES notation for lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide?
The canonical SMILES for lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide is CCOC(=O)[N-]C1CCN(C)CC1.[Li+].
What is the InChIKey of lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide?
The InChIKey is YTPQKMWXNZSBLS-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18N2O2.Li/c1-3-13-9(12)10-8-4-6-11(2)7-5-8;/h8H,3-7H2,1-2H3,(H,10,12);/q;+1/p-1.
What are the key properties of lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide?
lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide has a molecular weight of 192.19 g/mol, XLogP of -1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium ethoxycarbonyl-(1-methylpiperidin-4-yl)azanide is sourced from PubChem (CID 143011238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).