methyl 3-fluoropiperidine-4-carboxylate;hydrochloride

C7H13ClFNO2 — CID 84720949

IUPACmethyl 3-fluoropiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1F.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-11-7(10)5-2-3-9-4-6(5)8;/h5-6,9H,2-4H2,1H3;1H
InChIKeyIDVRHQMFHIRKGB-UHFFFAOYSA-N
MW197.64 g/mol
LogP0.53
Rot. Bonds1

About methyl 3-fluoropiperidine-4-carboxylate;hydrochloride

methyl 3-fluoropiperidine-4-carboxylate;hydrochloride (PubChem CID 84720949) has the molecular formula C7H13ClFNO2 and a molecular weight of 197.64 g/mol. Its IUPAC name is methyl 3-fluoropiperidine-4-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-fluoropiperidine-4-carboxylate;hydrochloride
PubChem CID84720949
Molecular FormulaC7H13ClFNO2
Molecular Weight197.64 g/mol
Exact Mass197.06
IUPAC Namemethyl 3-fluoropiperidine-4-carboxylate;hydrochloride
SMILESCOC(=O)C1CCNCC1F.Cl
InChIInChI=1S/C7H12FNO2.ClH/c1-11-7(10)5-2-3-9-4-6(5)8;/h5-6,9H,2-4H2,1H3;1H
InChIKeyIDVRHQMFHIRKGB-UHFFFAOYSA-N
XLogP0.53
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 ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3S,4R)-3-fluoropiperidine-4-carboxylate
CID 97289441
methyl 3-fluoropiperidine-4-carboxylate
CID 72698267
methyl (3S,4R)-4-hydroxypiperidine-3-carboxylate;hydrochloride
CID 154810489
methyl 4-methylpiperidine-3-carboxylate
CID 45043143
ethane;methyl 3-(methylamino)piperidine-4-carboxylate
CID 91482609
methyl pyrrolidine-3-carboxylate
CID 4114360
methyl N-[(3R,4S)-3-fluoropiperidin-4-yl]carbamate
CID 131732391
methyl piperidine-4-carboxylate;hydrochloride
CID 18783829
3-O-methyl 4-O-prop-2-enyl (3R,4R)-piperidine-3,4-dicarboxylate
CID 66953049
methyl 3-(2-methylphenyl)piperidine-4-carboxylate;hydrochloride
CID 91798782
(3S,4S)-3-fluoro-4-methoxypiperidine;hydrochloride
CID 135395865
methyl 2,3-difluorocyclopentane-1-carboxylate
CID 19077661

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoropiperidine-4-carboxylate;hydrochloride?
The IUPAC name of methyl 3-fluoropiperidine-4-carboxylate;hydrochloride (CID 84720949) is methyl 3-fluoropiperidine-4-carboxylate;hydrochloride.
What is the SMILES notation for methyl 3-fluoropiperidine-4-carboxylate;hydrochloride?
The canonical SMILES for methyl 3-fluoropiperidine-4-carboxylate;hydrochloride is COC(=O)C1CCNCC1F.Cl.
What is the InChIKey of methyl 3-fluoropiperidine-4-carboxylate;hydrochloride?
The InChIKey is IDVRHQMFHIRKGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2.ClH/c1-11-7(10)5-2-3-9-4-6(5)8;/h5-6,9H,2-4H2,1H3;1H.
What are the key properties of methyl 3-fluoropiperidine-4-carboxylate;hydrochloride?
methyl 3-fluoropiperidine-4-carboxylate;hydrochloride has a molecular weight of 197.64 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoropiperidine-4-carboxylate;hydrochloride is sourced from PubChem (CID 84720949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).