1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride

C8H15ClFNO2 — CID 90079651

IUPAC1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCCN1CCC(F)(C(=O)O)CC1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-2-10-5-3-8(9,4-6-10)7(11)12;/h2-6H2,1H3,(H,11,12);1H
InChIKeyDZFICDTZOBLMHE-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.32
Rot. Bonds2

About 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride

1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride (PubChem CID 90079651) has the molecular formula C8H15ClFNO2 and a molecular weight of 211.66 g/mol. Its IUPAC name is 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
PubChem CID90079651
Molecular FormulaC8H15ClFNO2
Molecular Weight211.66 g/mol
Exact Mass211.08
IUPAC Name1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride
SMILESCCN1CCC(F)(C(=O)O)CC1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-2-10-5-3-8(9,4-6-10)7(11)12;/h2-6H2,1H3,(H,11,12);1H
InChIKeyDZFICDTZOBLMHE-UHFFFAOYSA-N
XLogP1.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-(methylamino)piperidine-4-carboxylic acid
CID 43753645
4-(aminomethyl)-1-ethylpiperidine-4-carboxylic acid
CID 83907010
4-(diethylamino)-1-ethylpiperidine-4-carboxylic acid
CID 43803639
1-ethyl-4-fluoro-4-iodopiperidine
CID 147786451
1-ethyl-4-(methylamino)azepane-4-carboxylic acid
CID 65075798
1-ethyl-4-prop-2-enylpiperidine-4-carboxylic acid
CID 163236372
1-ethyl-4-(propan-2-ylamino)piperidine-4-carboxylic acid
CID 43754265
1-ethyl-4-(4-methylpiperazin-1-yl)piperidine-4-carboxylic acid
CID 65421201
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
(1-ethyl-4-methylpiperidin-4-yl)methanol
CID 23389267
3-(1-ethyl-4-hydroxypiperidin-4-yl)propanoic acid
CID 66323197
ethane;1-[1-(1-ethylpiperidine-4-carbonyl)-4-fluoropiperidin-4-yl]ethanone
CID 168882699

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The IUPAC name of 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride (CID 90079651) is 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride.
What is the SMILES notation for 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The canonical SMILES for 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride is CCN1CCC(F)(C(=O)O)CC1.Cl.
What is the InChIKey of 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride?
The InChIKey is DZFICDTZOBLMHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.ClH/c1-2-10-5-3-8(9,4-6-10)7(11)12;/h2-6H2,1H3,(H,11,12);1H.
What are the key properties of 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride?
1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoropiperidine-4-carboxylic acid;hydrochloride is sourced from PubChem (CID 90079651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).