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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Related Compounds

1-ethylpiperidine-4-carboxylate
CID 22406282
[4-(4-chlorobenzenecarboximidoyl)piperidin-1-yl]-[1-[[5-[[iodo(methyl)amino]methyl]furan-2-yl]methyl]piperidin-4-yl]methanone
CID 89242456
1-[[5-(2-methylcyclopropyl)furan-2-yl]methyl]piperidine-4-carboxylic acid
CID 65056448
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905
lithium 1-(2,2-diphenylethyl)piperidine-4-carboxylate
CID 155146392
5-[[4-(hydroxymethyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-sulfonamide
CID 110899350
1-[[5-(ethylaminomethyl)furan-2-yl]methyl]-N,N-dimethylpiperidin-4-amine
CID 62432459
[4-(dimethylamino)azepan-1-yl]-[5-(pyrrolidin-1-ylmethyl)furan-2-yl]methanone
CID 56897720
1-[(4-phenylphenyl)methyl]piperidine-4-carboxylate
CID 164771735
N,N-dimethyl-1-[4-methyl-5-[1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]-1,2,4-triazol-3-yl]methanamine
CID 70733045
ethyl 1-[(5-nitrofuran-2-yl)methyl]piperidine-4-carboxylate
CID 791307
1-[[5-(aminomethyl)furan-2-yl]methyl]piperidin-4-ol
CID 82508099

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).