lithium 1-[2-(phenoxy)ethyl]piperidine

C13H18LiNO — CID 57351466

IUPAClithium 1-[2-(phenoxy)ethyl]piperidine
SMILES[Li+].[c-]1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.Li/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-12H2;/q-1;+1
InChIKeyFKSHNFLWLVALTE-UHFFFAOYSA-N
MW211.23 g/mol
LogP-0.64
Rot. Bonds4

About lithium 1-[2-(phenoxy)ethyl]piperidine

lithium 1-[2-(phenoxy)ethyl]piperidine (PubChem CID 57351466) has the molecular formula C13H18LiNO and a molecular weight of 211.23 g/mol. Its IUPAC name is lithium 1-[2-(phenoxy)ethyl]piperidine.

Molecular Properties

Compound Namelithium 1-[2-(phenoxy)ethyl]piperidine
PubChem CID57351466
Molecular FormulaC13H18LiNO
Molecular Weight211.23 g/mol
Exact Mass211.15
IUPAC Namelithium 1-[2-(phenoxy)ethyl]piperidine
SMILES[Li+].[c-]1ccc(OCCN2CCCCC2)cc1
InChIInChI=1S/C13H18NO.Li/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-12H2;/q-1;+1
InChIKeyFKSHNFLWLVALTE-UHFFFAOYSA-N
XLogP-0.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 5-0.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
1-[2-(4-propoxyphenoxy)ethyl]piperidine;hydrochloride
CID 3030633
1-[2-(4-ethoxyphenoxy)ethyl]pyrrolidine
CID 803619
1-[2-(4-ethylphenoxy)ethyl]piperidine
CID 867198
1-[2-(4-phenylphenoxy)ethyl]piperidine
CID 58483683
[4-[2-(azepan-1-yl)ethoxy]phenyl]methanol;hydrochloride
CID 78358370
1,4-bis(2-phenoxyethyl)-1,4-diazepane
CID 58861609
[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 10751471
potassium trifluoro-[4-(2-piperidin-1-ylethoxy)phenyl]boranuide
CID 63677681
1-[2-[4-[(2,6-dichlorophenyl)methoxy]phenoxy]ethyl]pyrrolidine
CID 18678156
1-[2-[4-(3-methylbut-2-en-2-yl)phenoxy]ethyl]piperidine
CID 71038694
4-[2-(azepan-1-yl)ethoxy]benzamide
CID 147487835

Frequently Asked Questions

What is the IUPAC name of lithium 1-[2-(phenoxy)ethyl]piperidine?
The IUPAC name of lithium 1-[2-(phenoxy)ethyl]piperidine (CID 57351466) is lithium 1-[2-(phenoxy)ethyl]piperidine.
What is the SMILES notation for lithium 1-[2-(phenoxy)ethyl]piperidine?
The canonical SMILES for lithium 1-[2-(phenoxy)ethyl]piperidine is [Li+].[c-]1ccc(OCCN2CCCCC2)cc1.
What is the InChIKey of lithium 1-[2-(phenoxy)ethyl]piperidine?
The InChIKey is FKSHNFLWLVALTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18NO.Li/c1-3-7-13(8-4-1)15-12-11-14-9-5-2-6-10-14;/h3-4,7-8H,2,5-6,9-12H2;/q-1;+1.
What are the key properties of lithium 1-[2-(phenoxy)ethyl]piperidine?
lithium 1-[2-(phenoxy)ethyl]piperidine has a molecular weight of 211.23 g/mol, XLogP of -0.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[2-(phenoxy)ethyl]piperidine is sourced from PubChem (CID 57351466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).