methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate

C10H14FNO2 — CID 175259340

IUPACmethyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate
SMILESC#CCC1(F)CCN(C(=O)OC)CC1
InChIInChI=1S/C10H14FNO2/c1-3-4-10(11)5-7-12(8-6-10)9(13)14-2/h1H,4-8H2,2H3
InChIKeyABGIVQPCMDJNKI-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.58
Rot. Bonds1

About methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate

methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate (PubChem CID 175259340) has the molecular formula C10H14FNO2 and a molecular weight of 199.22 g/mol. Its IUPAC name is methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate
PubChem CID175259340
Molecular FormulaC10H14FNO2
Molecular Weight199.22 g/mol
Exact Mass199.10
IUPAC Namemethyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate
SMILESC#CCC1(F)CCN(C(=O)OC)CC1
InChIInChI=1S/C10H14FNO2/c1-3-4-10(11)5-7-12(8-6-10)9(13)14-2/h1H,4-8H2,2H3
InChIKeyABGIVQPCMDJNKI-UHFFFAOYSA-N
XLogP1.58
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 4-(cyanomethyl)-4-fluoropiperidine-1-carboxylate
CID 177326678
methyl 3-fluoro-3-(hydroxymethyl)piperidine-1-carboxylate
CID 130711152
methyl 4,4-dimethoxypiperidine-1-carboxylate
CID 84581625
CID 123683302
CID 123683302
ethane;methyl 3,3-dimethylpyrrolidine-1-carboxylate
CID 144942251
methyl 7-azaspiro[3.5]nonane-7-carboxylate
CID 130662307
tert-butyl 4-fluoro-4-(methylsulfonyloxymethyl)piperidine-1-carboxylate
CID 22248402
tert-butyl 4-(chlorooxymethyl)-4-fluoropiperidine-1-carboxylate
CID 70885046
tert-butyl 4-[(2,2-dimethylpropanoylamino)methyl]-4-fluoropiperidine-1-carboxylate
CID 165433830
dimethyl 4-aminopiperidine-1,4-dicarboxylate
CID 131627153
methyl 3,3,4,4-tetrafluoropyrrolidine-1-carboxylate
CID 126987071
1-O-tert-butyl 4-O-methyl 4-fluoropiperidine-1,4-dicarboxylate
CID 67487447

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate?
The IUPAC name of methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate (CID 175259340) is methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate?
The canonical SMILES for methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate is C#CCC1(F)CCN(C(=O)OC)CC1.
What is the InChIKey of methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate?
The InChIKey is ABGIVQPCMDJNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO2/c1-3-4-10(11)5-7-12(8-6-10)9(13)14-2/h1H,4-8H2,2H3.
What are the key properties of methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate?
methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate has a molecular weight of 199.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-4-prop-2-ynylpiperidine-1-carboxylate is sourced from PubChem (CID 175259340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).