6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole

C14H21FN2 — CID 123154006

IUPAC6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
SMILESFC1CCC2N=CC(=C3CCNCC3)C2CC1
InChIInChI=1S/C14H21FN2/c15-11-1-3-12-13(9-17-14(12)4-2-11)10-5-7-16-8-6-10/h9,11-12,14,16H,1-8H2
InChIKeySPTLRXIHIPYJMR-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.65
Rot. Bonds

About 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole

6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole (PubChem CID 123154006) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole.

Molecular Properties

Compound Name6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
PubChem CID123154006
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole
SMILESFC1CCC2N=CC(=C3CCNCC3)C2CC1
InChIInChI=1S/C14H21FN2/c15-11-1-3-12-13(9-17-14(12)4-2-11)10-5-7-16-8-6-10/h9,11-12,14,16H,1-8H2
InChIKeySPTLRXIHIPYJMR-UHFFFAOYSA-N
XLogP2.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The IUPAC name of 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole (CID 123154006) is 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole.
What is the SMILES notation for 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The canonical SMILES for 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole is FC1CCC2N=CC(=C3CCNCC3)C2CC1.
What is the InChIKey of 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
The InChIKey is SPTLRXIHIPYJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c15-11-1-3-12-13(9-17-14(12)4-2-11)10-5-7-16-8-6-10/h9,11-12,14,16H,1-8H2.
What are the key properties of 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole?
6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole has a molecular weight of 236.33 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-piperidin-4-ylidene-4,5,6,7,8,8a-hexahydro-3aH-cyclohepta[b]pyrrole is sourced from PubChem (CID 123154006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).