lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate

C14H15FLiNO3 — CID 21304004

IUPAClithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)Cc2ccc(F)cc2)CC1.[Li+]
InChIInChI=1S/C14H16FNO3.Li/c15-12-3-1-10(2-4-12)9-13(17)16-7-5-11(6-8-16)14(18)19;/h1-4,11H,5-9H2,(H,18,19);/q;+1/p-1
InChIKeyYKCDBPGWURPFNX-UHFFFAOYSA-M
MW271.22 g/mol
LogP-2.64
Rot. Bonds3

About lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate

lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate (PubChem CID 21304004) has the molecular formula C14H15FLiNO3 and a molecular weight of 271.22 g/mol. Its IUPAC name is lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Namelithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
PubChem CID21304004
Molecular FormulaC14H15FLiNO3
Molecular Weight271.22 g/mol
Exact Mass271.12
IUPAC Namelithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate
SMILESO=C([O-])C1CCN(C(=O)Cc2ccc(F)cc2)CC1.[Li+]
InChIInChI=1S/C14H16FNO3.Li/c15-12-3-1-10(2-4-12)9-13(17)16-7-5-11(6-8-16)14(18)19;/h1-4,11H,5-9H2,(H,18,19);/q;+1/p-1
InChIKeyYKCDBPGWURPFNX-UHFFFAOYSA-M
XLogP-2.64
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 5-2.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 110868488
2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
4-[2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 56511454
N-(4-acetamidophenyl)-1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxamide
CID 113007926
1-(3-aminopyrrolidin-1-yl)-2-(4-fluorophenyl)ethanone
CID 62069201
1-[3-(cyclopropylmethoxy)pyrrolidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 121197382
1-[2-(4-hydroxyphenyl)acetyl]piperidine-4-carboxylic acid
CID 28934157
1-(4-cyclopentylpiperazin-1-yl)-2-(4-fluorophenyl)ethanone
CID 110708885
2-(4-fluorophenyl)-1-(4-propan-2-yloxypiperidin-1-yl)ethanone
CID 110725389
N-[1-[2-(4-fluorophenyl)acetyl]piperidin-4-yl]cyclohexanecarboxamide
CID 51096411
N,N-diethyl-4-[4-[2-(4-fluorophenyl)acetyl]piperazine-1-carbonyl]piperidine-1-carboxamide
CID 55721678
N-butyl-1-[2-(4-fluorophenyl)acetyl]-N-methylpiperidine-4-carboxamide
CID 113005666

Frequently Asked Questions

What is the IUPAC name of lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate?
The IUPAC name of lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate (CID 21304004) is lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate is O=C([O-])C1CCN(C(=O)Cc2ccc(F)cc2)CC1.[Li+].
What is the InChIKey of lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate?
The InChIKey is YKCDBPGWURPFNX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H16FNO3.Li/c15-12-3-1-10(2-4-12)9-13(17)16-7-5-11(6-8-16)14(18)19;/h1-4,11H,5-9H2,(H,18,19);/q;+1/p-1.
What are the key properties of lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate?
lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate has a molecular weight of 271.22 g/mol, XLogP of -2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1-[2-(4-fluorophenyl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 21304004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).