methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate

C10H16FNO2 — CID 102583300

IUPACmethyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(F)CCCN1C(=O)OC
InChIInChI=1S/C10H16FNO2/c1-3-5-9-8(11)6-4-7-12(9)10(13)14-2/h3,8-9H,1,4-7H2,2H3
InChIKeyDXSPXMSNTZVDAP-UHFFFAOYSA-N
MW201.24 g/mol
LogP2.13
Rot. Bonds2

About methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate

methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate (PubChem CID 102583300) has the molecular formula C10H16FNO2 and a molecular weight of 201.24 g/mol. Its IUPAC name is methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate
PubChem CID102583300
Molecular FormulaC10H16FNO2
Molecular Weight201.24 g/mol
Exact Mass201.12
IUPAC Namemethyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate
SMILESC=CCC1C(F)CCCN1C(=O)OC
InChIInChI=1S/C10H16FNO2/c1-3-5-9-8(11)6-4-7-12(9)10(13)14-2/h3,8-9H,1,4-7H2,2H3
InChIKeyDXSPXMSNTZVDAP-UHFFFAOYSA-N
XLogP2.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.24
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tert-butyl 2-(prop-2-en-1-yl)piperidine-1-carboxylate
CID 10656811
tert-butyl (2S)-2-prop-2-enylpiperidine-1-carboxylate
CID 11218388
Methyl 2-allylpiperidine-1-carboxylate
CID 11412765
Methyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 85420103
methyl 2-[(E)-2-methoxyethenyl]piperidine-1-carboxylate
CID 135086030
methyl 2-[(E)-pent-1-enyl]piperidine-1-carboxylate
CID 162398569
2-But-3-enylpiperidine-1-carboxylic acid
CID 66895705
2-Prop-2-enylpiperidine-1-carboxylic acid
CID 69978849
2,6-Bis(prop-2-enyl)piperidine-1-carboxylic acid
CID 141737876
methyl (2R,6R)-2-[(E)-hept-3-enyl]-6-propylpiperidine-1-carboxylate
CID 10564793
methyl (2S,6S)-2-[(E)-2-methoxyethenyl]-6-propylpiperidine-1-carboxylate
CID 10776494
Ethyl 2,6-bis(prop-2-enyl)piperidine-1-carboxylate
CID 11118090

Frequently Asked Questions

What is the IUPAC name of methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate?
The IUPAC name of methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate (CID 102583300) is methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate.
What is the SMILES notation for methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate?
The canonical SMILES for methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate is C=CCC1C(F)CCCN1C(=O)OC.
What is the InChIKey of methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate?
The InChIKey is DXSPXMSNTZVDAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FNO2/c1-3-5-9-8(11)6-4-7-12(9)10(13)14-2/h3,8-9H,1,4-7H2,2H3.
What are the key properties of methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate?
methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate has a molecular weight of 201.24 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluoro-2-prop-2-enylpiperidine-1-carboxylate is sourced from PubChem (CID 102583300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).