methyl 3-fluoropiperidine-3-carboxylate;hydrochloride

C7H13ClFNO2 — CID 155970613

IUPACmethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(F)CCCNC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-11-6(10)7(8)3-2-4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyOAJBDGALARKWGR-UHFFFAOYSA-N
MW197.64 g/mol
LogP0.67
Rot. Bonds1

About methyl 3-fluoropiperidine-3-carboxylate;hydrochloride

methyl 3-fluoropiperidine-3-carboxylate;hydrochloride (PubChem CID 155970613) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is methyl 3-fluoropiperidine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
PubChem CID155970613
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Namemethyl 3-fluoropiperidine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1(F)CCCNC1.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-11-6(10)7(8)3-2-4-9-5-7;/h9H,2-5H2,1H3;1H
InChIKeyOAJBDGALARKWGR-UHFFFAOYSA-N
XLogP0.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.64
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 3-fluoropiperidine-3-carboxylate;hydrochloride (CID 155970613) is methyl 3-fluoropiperidine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-fluoropiperidine-3-carboxylate;hydrochloride is COC(=O)C1(F)CCCNC1.Cl.
What is the InChIKey of methyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
The InChIKey is OAJBDGALARKWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2.ClH/c1-11-6(10)7(8)3-2-4-9-5-7;/h9H,2-5H2,1H3;1H.
What are the key properties of methyl 3-fluoropiperidine-3-carboxylate;hydrochloride?
methyl 3-fluoropiperidine-3-carboxylate;hydrochloride has a molecular weight of 197.64 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoropiperidine-3-carboxylate;hydrochloride is sourced from PubChem (CID 155970613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).