lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane

C15H25LiN2O3 — CID 160568375

IUPAClithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane
SMILESC.CN(C)Cc1ccc(CN2CCC(C(=O)[O-])CC2)o1.[Li+]
InChIInChI=1S/C14H22N2O3.CH4.Li/c1-15(2)9-12-3-4-13(19-12)10-16-7-5-11(6-8-16)14(17)18;;/h3-4,11H,5-10H2,1-2H3,(H,17,18);1H4;/q;;+1/p-1
InChIKeyRAFLVPZKPRVLOC-UHFFFAOYSA-M
MW288.32 g/mol
LogP-2.06
Rot. Bonds5

About lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane

lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane (PubChem CID 160568375) has the molecular formula C15H25LiN2O3 and a molecular weight of 288.32 g/mol. Its IUPAC name is lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane.

Molecular Properties

Compound Namelithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane
PubChem CID160568375
Molecular FormulaC15H25LiN2O3
Molecular Weight288.32 g/mol
Exact Mass288.20
IUPAC Namelithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane
SMILESC.CN(C)Cc1ccc(CN2CCC(C(=O)[O-])CC2)o1.[Li+]
InChIInChI=1S/C14H22N2O3.CH4.Li/c1-15(2)9-12-3-4-13(19-12)10-16-7-5-11(6-8-16)14(17)18;;/h3-4,11H,5-10H2,1-2H3,(H,17,18);1H4;/q;;+1/p-1
InChIKeyRAFLVPZKPRVLOC-UHFFFAOYSA-M
XLogP-2.06
TPSA59.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 5-2.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane?
The IUPAC name of lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane (CID 160568375) is lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane.
What is the SMILES notation for lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane?
The canonical SMILES for lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane is C.CN(C)Cc1ccc(CN2CCC(C(=O)[O-])CC2)o1.[Li+].
What is the InChIKey of lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane?
The InChIKey is RAFLVPZKPRVLOC-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H22N2O3.CH4.Li/c1-15(2)9-12-3-4-13(19-12)10-16-7-5-11(6-8-16)14(17)18;;/h3-4,11H,5-10H2,1-2H3,(H,17,18);1H4;/q;;+1/p-1.
What are the key properties of lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane?
lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane has a molecular weight of 288.32 g/mol, XLogP of -2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;1-[[5-[(dimethylamino)methyl]furan-2-yl]methyl]piperidine-4-carboxylate;methane is sourced from PubChem (CID 160568375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).