4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine

C13H22FN — CID 134386766

IUPAC4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine
SMILESCC1C2CCC[C@H](N3CCC(F)CC3)C12
InChIInChI=1S/C13H22FN/c1-9-11-3-2-4-12(13(9)11)15-7-5-10(14)6-8-15/h9-13H,2-8H2,1H3/t9?,11?,12-,13?/m0/s1
InChIKeyXXKNYOGCNMQQRN-IULHORILSA-N
MW211.32 g/mol
LogP2.85
Rot. Bonds1

About 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine

4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine (PubChem CID 134386766) has the molecular formula C13H22FN and a molecular weight of 211.32 g/mol. Its IUPAC name is 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine.

Molecular Properties

Compound Name4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine
PubChem CID134386766
Molecular FormulaC13H22FN
Molecular Weight211.32 g/mol
Exact Mass211.17
IUPAC Name4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine
SMILESCC1C2CCC[C@H](N3CCC(F)CC3)C12
InChIInChI=1S/C13H22FN/c1-9-11-3-2-4-12(13(9)11)15-7-5-10(14)6-8-15/h9-13H,2-8H2,1H3/t9?,11?,12-,13?/m0/s1
InChIKeyXXKNYOGCNMQQRN-IULHORILSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.32
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine?
The IUPAC name of 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine (CID 134386766) is 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine.
What is the SMILES notation for 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine?
The canonical SMILES for 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine is CC1C2CCC[C@H](N3CCC(F)CC3)C12.
What is the InChIKey of 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine?
The InChIKey is XXKNYOGCNMQQRN-IULHORILSA-N. The full InChI is InChI=1S/C13H22FN/c1-9-11-3-2-4-12(13(9)11)15-7-5-10(14)6-8-15/h9-13H,2-8H2,1H3/t9?,11?,12-,13?/m0/s1.
What are the key properties of 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine?
4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine has a molecular weight of 211.32 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2S)-7-methyl-2-bicyclo[4.1.0]heptanyl]piperidine is sourced from PubChem (CID 134386766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).