6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine

C12H17FN2 — CID 145198060

IUPAC6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
SMILESCC1=CCC=C(N2CCC(F)CC2)C=N1
InChIInChI=1S/C12H17FN2/c1-10-3-2-4-12(9-14-10)15-7-5-11(13)6-8-15/h3-4,9,11H,2,5-8H2,1H3
InChIKeyYNKBVCJWDHCZFJ-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.68
Rot. Bonds1

About 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine

6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine (PubChem CID 145198060) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine.

Molecular Properties

Compound Name6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
PubChem CID145198060
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
SMILESCC1=CCC=C(N2CCC(F)CC2)C=N1
InChIInChI=1S/C12H17FN2/c1-10-3-2-4-12(9-14-10)15-7-5-11(13)6-8-15/h3-4,9,11H,2,5-8H2,1H3
InChIKeyYNKBVCJWDHCZFJ-UHFFFAOYSA-N
XLogP2.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(Z)-2-fluoro-N-(3-methylbut-1-en-2-yl)-3-piperidin-1-ylbut-2-en-1-imine
CID 143430959
(E)-N-methyl-3-piperidin-1-ylpent-2-en-1-imine
CID 142061223
5-Piperidin-1-yl-2,3-dihydropyridine;prop-1-ene
CID 143703557
ethane;6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine
CID 145198059
(E)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699558
(E)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 13699560
(Z)-N-methyl-2-piperidin-1-ylbut-2-en-1-imine
CID 21629331
(Z)-N-butyl-2-piperidin-1-ylbut-2-en-1-imine
CID 23240096
5-Piperidin-1-yl-2,3-dihydropyridine
CID 143703558

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine?
The IUPAC name of 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine (CID 145198060) is 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine.
What is the SMILES notation for 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine?
The canonical SMILES for 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine is CC1=CCC=C(N2CCC(F)CC2)C=N1.
What is the InChIKey of 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine?
The InChIKey is YNKBVCJWDHCZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-10-3-2-4-12(9-14-10)15-7-5-11(13)6-8-15/h3-4,9,11H,2,5-8H2,1H3.
What are the key properties of 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine?
6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine has a molecular weight of 208.28 g/mol, XLogP of 2.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoropiperidin-1-yl)-2-methyl-4H-azepine is sourced from PubChem (CID 145198060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).