methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride

C9H17ClFNO2 — CID 146155852

IUPACmethyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCF)CCNCC1.Cl
InChIInChI=1S/C9H16FNO2.ClH/c1-13-8(12)9(2-5-10)3-6-11-7-4-9;/h11H,2-7H2,1H3;1H
InChIKeyLGRWERLZPNNPLA-UHFFFAOYSA-N
MW225.69 g/mol
LogP1.31
Rot. Bonds3

About methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride

methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride (PubChem CID 146155852) has the molecular formula C9H17ClFNO2 and a molecular weight of 225.69 g/mol. Its IUPAC name is methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride
PubChem CID146155852
Molecular FormulaC9H17ClFNO2
Molecular Weight225.69 g/mol
Exact Mass225.09
IUPAC Namemethyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCF)CCNCC1.Cl
InChIInChI=1S/C9H16FNO2.ClH/c1-13-8(12)9(2-5-10)3-6-11-7-4-9;/h11H,2-7H2,1H3;1H
InChIKeyLGRWERLZPNNPLA-UHFFFAOYSA-N
XLogP1.31
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.69
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride (CID 146155852) is methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride is COC(=O)C1(CCF)CCNCC1.Cl.
What is the InChIKey of methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride?
The InChIKey is LGRWERLZPNNPLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO2.ClH/c1-13-8(12)9(2-5-10)3-6-11-7-4-9;/h11H,2-7H2,1H3;1H.
What are the key properties of methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride?
methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride has a molecular weight of 225.69 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-fluoroethyl)piperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 146155852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).